4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine

C200H138Cl2N22O27S5 — CID 159245171

IUPAC4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine
SMILESCCN(CC)C1OC(c2ccc(C3=Nc4ccccc4C(N(CC)CC)O3)s2)=Nc2ccccc21.Cc1c(-c2nc3ccccc3c(=O)o2)sc(-c2nc3ccccc3c(=O)o2)c1-c1ccccc1.ClC1OC(c2ccc(C3=Nc4ccccc4C(Cl)O3)s2)=Nc2ccccc21.O=c1oc(-c2[nH]c(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2oc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2sc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.c1ccc2c(c1)N=C(c1ccc(C3=Nc4ccccc4C(N4CCCC4)O3)s1)OC2N1CCCC1
InChIInChI=1S/C28H28N4O2S.C28H32N4O2S.C27H16N2O4S.C25H13N3O4.C24H13N3O4.C24H12N2O5.C24H12N2O4S.C20H12Cl2N2O2S/c1-3-11-21-19(9-1)27(31-15-5-6-16-31)33-25(29-21)23-13-14-24(35-23)26-30-22-12-4-2-10-20(22)28(34-26)32-17-7-8-18-32;1-5-31(6-2)27-19-13-9-11-15-21(19)29-25(33-27)23-17-18-24(35-23)26-30-22-16-12-10-14-20(22)28(34-26)32(7-3)8-4;1-15-21(16-9-3-2-4-10-16)23(25-29-20-14-8-6-12-18(20)27(31)33-25)34-22(15)24-28-19-13-7-5-11-17(19)26(30)32-24;29-24-16-9-3-5-11-19(16)27-22(31-24)18-13-26-21(15-8-2-1-7-14(15)18)23-28-20-12-6-4-10-17(20)25(30)32-23;28-23-15-9-3-5-11-17(15)25-21(30-23)19-13-7-1-2-8-14(13)20(27-19)22-26-18-12-6-4-10-16(18)24(29)31-22;27-23-15-9-3-5-11-17(15)25-21(30-23)19-13-7-1-2-8-14(13)20(29-19)22-26-18-12-6-4-10-16(18)24(28)31-22;27-23-15-9-3-5-11-17(15)25-21(29-23)19-13-7-1-2-8-14(13)20(31-19)22-26-18-12-6-4-10-16(18)24(28)30-22;21-17-11-5-1-3-7-13(11)23-19(25-17)15-9-10-16(27-15)20-24-14-8-4-2-6-12(14)18(22)26-20/h1-4,9-14,27-28H,5-8,15-18H2;9-18,27-28H,5-8H2,1-4H3;2-14H,1H3;1-13H;1-12,27H;2*1-12H;1-10,17-18H
InChIKeyKUOYSPAJIMKDKZ-UHFFFAOYSA-N
MW3512.67 g/mol
LogP44.38
Rot. Bonds25

About 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine

4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine (PubChem CID 159245171) has the molecular formula C200H138Cl2N22O27S5 and a molecular weight of 3512.67 g/mol. Its IUPAC name is 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine.

Molecular Properties

Compound Name4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine
PubChem CID159245171
Molecular FormulaC200H138Cl2N22O27S5
Molecular Weight3512.67 g/mol
Exact Mass3508.81
IUPAC Name4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine
SMILESCCN(CC)C1OC(c2ccc(C3=Nc4ccccc4C(N(CC)CC)O3)s2)=Nc2ccccc21.Cc1c(-c2nc3ccccc3c(=O)o2)sc(-c2nc3ccccc3c(=O)o2)c1-c1ccccc1.ClC1OC(c2ccc(C3=Nc4ccccc4C(Cl)O3)s2)=Nc2ccccc21.O=c1oc(-c2[nH]c(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2oc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2sc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.c1ccc2c(c1)N=C(c1ccc(C3=Nc4ccccc4C(N4CCCC4)O3)s1)OC2N1CCCC1
InChIInChI=1S/C28H28N4O2S.C28H32N4O2S.C27H16N2O4S.C25H13N3O4.C24H13N3O4.C24H12N2O5.C24H12N2O4S.C20H12Cl2N2O2S/c1-3-11-21-19(9-1)27(31-15-5-6-16-31)33-25(29-21)23-13-14-24(35-23)26-30-22-12-4-2-10-20(22)28(34-26)32-17-7-8-18-32;1-5-31(6-2)27-19-13-9-11-15-21(19)29-25(33-27)23-17-18-24(35-23)26-30-22-16-12-10-14-20(22)28(34-26)32(7-3)8-4;1-15-21(16-9-3-2-4-10-16)23(25-29-20-14-8-6-12-18(20)27(31)33-25)34-22(15)24-28-19-13-7-5-11-17(19)26(30)32-24;29-24-16-9-3-5-11-19(16)27-22(31-24)18-13-26-21(15-8-2-1-7-14(15)18)23-28-20-12-6-4-10-17(20)25(30)32-23;28-23-15-9-3-5-11-17(15)25-21(30-23)19-13-7-1-2-8-14(13)20(27-19)22-26-18-12-6-4-10-16(18)24(29)31-22;27-23-15-9-3-5-11-17(15)25-21(30-23)19-13-7-1-2-8-14(13)20(29-19)22-26-18-12-6-4-10-16(18)24(28)31-22;27-23-15-9-3-5-11-17(15)25-21(29-23)19-13-7-1-2-8-14(13)20(31-19)22-26-18-12-6-4-10-16(18)24(28)30-22;21-17-11-5-1-3-7-13(11)23-19(25-17)15-9-10-16(27-15)20-24-14-8-4-2-6-12(14)18(22)26-20/h1-4,9-14,27-28H,5-8,15-18H2;9-18,27-28H,5-8H2,1-4H3;2-14H,1H3;1-13H;1-12,27H;2*1-12H;1-10,17-18H
InChIKeyKUOYSPAJIMKDKZ-UHFFFAOYSA-N
XLogP44.38
TPSA615.32 Ų
H-Bond Donors1
H-Bond Acceptors53
Rotatable Bonds25
Heavy Atoms256
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003512.67
LogP ≤ 544.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine?
The IUPAC name of 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine (CID 159245171) is 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine.
What is the SMILES notation for 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine?
The canonical SMILES for 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine is CCN(CC)C1OC(c2ccc(C3=Nc4ccccc4C(N(CC)CC)O3)s2)=Nc2ccccc21.Cc1c(-c2nc3ccccc3c(=O)o2)sc(-c2nc3ccccc3c(=O)o2)c1-c1ccccc1.ClC1OC(c2ccc(C3=Nc4ccccc4C(Cl)O3)s2)=Nc2ccccc21.O=c1oc(-c2[nH]c(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2cnc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2oc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.O=c1oc(-c2sc(-c3nc4ccccc4c(=O)o3)c3ccccc23)nc2ccccc12.c1ccc2c(c1)N=C(c1ccc(C3=Nc4ccccc4C(N4CCCC4)O3)s1)OC2N1CCCC1.
What is the InChIKey of 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine?
The InChIKey is KUOYSPAJIMKDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2S.C28H32N4O2S.C27H16N2O4S.C25H13N3O4.C24H13N3O4.C24H12N2O5.C24H12N2O4S.C20H12Cl2N2O2S/c1-3-11-21-19(9-1)27(31-15-5-6-16-31)33-25(29-21)23-13-14-24(35-23)26-30-22-12-4-2-10-20(22)28(34-26)32-17-7-8-18-32;1-5-31(6-2)27-19-13-9-11-15-21(19)29-25(33-27)23-17-18-24(35-23)26-30-22-16-12-10-14-20(22)28(34-26)32(7-3)8-4;1-15-21(16-9-3-2-4-10-16)23(25-29-20-14-8-6-12-18(20)27(31)33-25)34-22(15)24-28-19-13-7-5-11-17(19)26(30)32-24;29-24-16-9-3-5-11-19(16)27-22(31-24)18-13-26-21(15-8-2-1-7-14(15)18)23-28-20-12-6-4-10-17(20)25(30)32-23;28-23-15-9-3-5-11-17(15)25-21(30-23)19-13-7-1-2-8-14(13)20(27-19)22-26-18-12-6-4-10-16(18)24(29)31-22;27-23-15-9-3-5-11-17(15)25-21(30-23)19-13-7-1-2-8-14(13)20(29-19)22-26-18-12-6-4-10-16(18)24(28)31-22;27-23-15-9-3-5-11-17(15)25-21(29-23)19-13-7-1-2-8-14(13)20(31-19)22-26-18-12-6-4-10-16(18)24(28)30-22;21-17-11-5-1-3-7-13(11)23-19(25-17)15-9-10-16(27-15)20-24-14-8-4-2-6-12(14)18(22)26-20/h1-4,9-14,27-28H,5-8,15-18H2;9-18,27-28H,5-8H2,1-4H3;2-14H,1H3;1-13H;1-12,27H;2*1-12H;1-10,17-18H.
What are the key properties of 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine?
4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine has a molecular weight of 3512.67 g/mol, XLogP of 44.38, 25 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(4-chloro-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine;2-[5-[4-(diethylamino)-4H-3,1-benzoxazin-2-yl]thiophen-2-yl]-N,N-diethyl-4H-3,1-benzoxazin-4-amine;2-[3-methyl-5-(4-oxo-3,1-benzoxazin-2-yl)-4-phenylthiophen-2-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzofuran-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2-benzothiophen-1-yl]-3,1-benzoxazin-4-one;2-[3-(4-oxo-3,1-benzoxazin-2-yl)-2H-isoindol-1-yl]-3,1-benzoxazin-4-one;2-[1-(4-oxo-3,1-benzoxazin-2-yl)isoquinolin-4-yl]-3,1-benzoxazin-4-one;4-pyrrolidin-1-yl-2-[5-(4-pyrrolidin-1-yl-4H-3,1-benzoxazin-2-yl)thiophen-2-yl]-4H-3,1-benzoxazine is sourced from PubChem (CID 159245171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).