4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C90H104ClN21O5S — CID 158251255

IUPAC4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.Clc1nc(N2CCCC(Cn3ccnc3)C2)c2ccc(N3CCOCC3)cc2n1.c1ccc2sc(C3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)nc2c1.c1cn(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cn1
InChIInChI=1S/C24H25N5OS.C24H28N4O2.C21H25ClN6O.C21H26N6O/c1-2-6-22-20(5-1)27-24(31-22)17-4-3-9-29(15-17)23-19-8-7-18(14-21(19)25-16-26-23)28-10-12-30-13-11-28;1-29-21-6-2-4-18(14-21)19-5-3-9-28(16-19)24-22-8-7-20(15-23(22)25-17-26-24)27-10-12-30-13-11-27;22-21-24-19-12-17(27-8-10-29-11-9-27)3-4-18(19)20(25-21)28-6-1-2-16(14-28)13-26-7-5-23-15-26;1-2-17(13-25-7-5-22-16-25)14-27(6-1)21-19-4-3-18(12-20(19)23-15-24-21)26-8-10-28-11-9-26/h1-2,5-8,14,16-17H,3-4,9-13,15H2;2,4,6-8,14-15,17,19H,3,5,9-13,16H2,1H3;3-5,7,12,15-16H,1-2,6,8-11,13-14H2;3-5,7,12,15-17H,1-2,6,8-11,13-14H2
InChIKeyGGSXKDUENFLUNW-UHFFFAOYSA-N
MW1627.48 g/mol
LogP14.13
Rot. Bonds15

About 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 158251255) has the molecular formula C90H104ClN21O5S and a molecular weight of 1627.48 g/mol. Its IUPAC name is 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID158251255
Molecular FormulaC90H104ClN21O5S
Molecular Weight1627.48 g/mol
Exact Mass1625.79
IUPAC Name4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.Clc1nc(N2CCCC(Cn3ccnc3)C2)c2ccc(N3CCOCC3)cc2n1.c1ccc2sc(C3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)nc2c1.c1cn(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cn1
InChIInChI=1S/C24H25N5OS.C24H28N4O2.C21H25ClN6O.C21H26N6O/c1-2-6-22-20(5-1)27-24(31-22)17-4-3-9-29(15-17)23-19-8-7-18(14-21(19)25-16-26-23)28-10-12-30-13-11-28;1-29-21-6-2-4-18(14-21)19-5-3-9-28(16-19)24-22-8-7-20(15-23(22)25-17-26-24)27-10-12-30-13-11-27;22-21-24-19-12-17(27-8-10-29-11-9-27)3-4-18(19)20(25-21)28-6-1-2-16(14-28)13-26-7-5-23-15-26;1-2-17(13-25-7-5-22-16-25)14-27(6-1)21-19-4-3-18(12-20(19)23-15-24-21)26-8-10-28-11-9-26/h1-2,5-8,14,16-17H,3-4,9-13,15H2;2,4,6-8,14-15,17,19H,3,5,9-13,16H2,1H3;3-5,7,12,15-16H,1-2,6,8-11,13-14H2;3-5,7,12,15-17H,1-2,6,8-11,13-14H2
InChIKeyGGSXKDUENFLUNW-UHFFFAOYSA-N
XLogP14.13
TPSA223.72 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.48
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine with MolForge

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Related Compounds

4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467766
4-[4-[3-[(5-methoxy-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202760
4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71202759
4-[4-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71203364
4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467982
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,3-benzothiazole
CID 9388228
7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline
CID 86876437
N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine
CID 123203019
6-chloro-2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-methyl-1,3-benzothiazole
CID 164928642
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylpyridin-1-ium-2-yl)methanone
CID 9489100
(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203426
(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203396

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 158251255) is 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine is COc1cccc(C2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.Clc1nc(N2CCCC(Cn3ccnc3)C2)c2ccc(N3CCOCC3)cc2n1.c1ccc2sc(C3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)nc2c1.c1cn(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cn1.
What is the InChIKey of 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is GGSXKDUENFLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS.C24H28N4O2.C21H25ClN6O.C21H26N6O/c1-2-6-22-20(5-1)27-24(31-22)17-4-3-9-29(15-17)23-19-8-7-18(14-21(19)25-16-26-23)28-10-12-30-13-11-28;1-29-21-6-2-4-18(14-21)19-5-3-9-28(16-19)24-22-8-7-20(15-23(22)25-17-26-24)27-10-12-30-13-11-27;22-21-24-19-12-17(27-8-10-29-11-9-27)3-4-18(19)20(25-21)28-6-1-2-16(14-28)13-26-7-5-23-15-26;1-2-17(13-25-7-5-22-16-25)14-27(6-1)21-19-4-3-18(12-20(19)23-15-24-21)26-8-10-28-11-9-26/h1-2,5-8,14,16-17H,3-4,9-13,15H2;2,4,6-8,14-15,17,19H,3,5,9-13,16H2,1H3;3-5,7,12,15-16H,1-2,6,8-11,13-14H2;3-5,7,12,15-17H,1-2,6,8-11,13-14H2.
What are the key properties of 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 1627.48 g/mol, XLogP of 14.13, 15 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(3-methoxyphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 158251255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).