1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

C108H119N23O17S8 — CID 158402152

IUPAC1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4c5c(ccc4c3=O)NCC5)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCCC5)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCCCC5)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCOCC5)ccc4c3=O)cc2)s1
InChIInChI=1S/C29H34N6O4S2.C28H32N6O5S2.C28H32N6O4S2.C23H21N5O4S2/c1-20-7-14-27(40-20)41(38,39)33-29(37)32-22-8-11-24(12-9-22)35-21(2)31-26-19-23(10-13-25(26)28(35)36)30-15-6-18-34-16-4-3-5-17-34;1-19-4-11-26(40-19)41(37,38)32-28(36)31-21-5-8-23(9-6-21)34-20(2)30-25-18-22(7-10-24(25)27(34)35)29-12-3-13-33-14-16-39-17-15-33;1-19-6-13-26(39-19)40(37,38)32-28(36)31-21-7-10-23(11-8-21)34-20(2)30-25-18-22(9-12-24(25)27(34)35)29-14-5-17-33-15-3-4-16-33;1-13-3-10-20(33-13)34(31,32)27-23(30)26-15-4-6-16(7-5-15)28-14(2)25-21-17-11-12-24-19(17)9-8-18(21)22(28)29/h7-14,19,30H,3-6,15-18H2,1-2H3,(H2,32,33,37);4-11,18,29H,3,12-17H2,1-2H3,(H2,31,32,36);6-13,18,29H,3-5,14-17H2,1-2H3,(H2,31,32,36);3-10,24H,11-12H2,1-2H3,(H2,26,27,30)
InChIKeyGYFUMMRHJKWIAP-UHFFFAOYSA-N
MW2267.82 g/mol
LogP16.59
Rot. Bonds31

About 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (PubChem CID 158402152) has the molecular formula C108H119N23O17S8 and a molecular weight of 2267.82 g/mol. Its IUPAC name is 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
PubChem CID158402152
Molecular FormulaC108H119N23O17S8
Molecular Weight2267.82 g/mol
Exact Mass2265.69
IUPAC Name1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4c5c(ccc4c3=O)NCC5)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCCC5)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCCCC5)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCOCC5)ccc4c3=O)cc2)s1
InChIInChI=1S/C29H34N6O4S2.C28H32N6O5S2.C28H32N6O4S2.C23H21N5O4S2/c1-20-7-14-27(40-20)41(38,39)33-29(37)32-22-8-11-24(12-9-22)35-21(2)31-26-19-23(10-13-25(26)28(35)36)30-15-6-18-34-16-4-3-5-17-34;1-19-4-11-26(40-19)41(37,38)32-28(36)31-21-5-8-23(9-6-21)34-20(2)30-25-18-22(7-10-24(25)27(34)35)29-12-3-13-33-14-16-39-17-15-33;1-19-6-13-26(39-19)40(37,38)32-28(36)31-21-7-10-23(11-8-21)34-20(2)30-25-18-22(9-12-24(25)27(34)35)29-14-5-17-33-15-3-4-16-33;1-13-3-10-20(33-13)34(31,32)27-23(30)26-15-4-6-16(7-5-15)28-14(2)25-21-17-11-12-24-19(17)9-8-18(21)22(28)29/h7-14,19,30H,3-6,15-18H2,1-2H3,(H2,32,33,37);4-11,18,29H,3,12-17H2,1-2H3,(H2,31,32,36);6-13,18,29H,3-5,14-17H2,1-2H3,(H2,31,32,36);3-10,24H,11-12H2,1-2H3,(H2,26,27,30)
InChIKeyGYFUMMRHJKWIAP-UHFFFAOYSA-N
XLogP16.59
TPSA507.71 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002267.82
LogP ≤ 516.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The IUPAC name of 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (CID 158402152) is 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4c5c(ccc4c3=O)NCC5)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCCC5)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCCCC5)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NCCCN5CCOCC5)ccc4c3=O)cc2)s1.
What is the InChIKey of 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The InChIKey is GYFUMMRHJKWIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4S2.C28H32N6O5S2.C28H32N6O4S2.C23H21N5O4S2/c1-20-7-14-27(40-20)41(38,39)33-29(37)32-22-8-11-24(12-9-22)35-21(2)31-26-19-23(10-13-25(26)28(35)36)30-15-6-18-34-16-4-3-5-17-34;1-19-4-11-26(40-19)41(37,38)32-28(36)31-21-5-8-23(9-6-21)34-20(2)30-25-18-22(7-10-24(25)27(34)35)29-12-3-13-33-14-16-39-17-15-33;1-19-6-13-26(39-19)40(37,38)32-28(36)31-21-7-10-23(11-8-21)34-20(2)30-25-18-22(9-12-24(25)27(34)35)29-14-5-17-33-15-3-4-16-33;1-13-3-10-20(33-13)34(31,32)27-23(30)26-15-4-6-16(7-5-15)28-14(2)25-21-17-11-12-24-19(17)9-8-18(21)22(28)29/h7-14,19,30H,3-6,15-18H2,1-2H3,(H2,32,33,37);4-11,18,29H,3,12-17H2,1-2H3,(H2,31,32,36);6-13,18,29H,3-5,14-17H2,1-2H3,(H2,31,32,36);3-10,24H,11-12H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea has a molecular weight of 2267.82 g/mol, XLogP of 16.59, 31 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-[2-methyl-4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 158402152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).