1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

C48H45N11O8S4 — CID 91603959

IUPAC1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(C5=NCCN5C)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc5c(cc4c3=O)CCN5)cc2)s1
InChIInChI=1S/C25H24N6O4S2.C23H21N5O4S2/c1-15-4-11-22(36-15)37(34,35)29-25(33)28-18-6-8-19(9-7-18)31-16(2)27-21-14-17(5-10-20(21)24(31)32)23-26-12-13-30(23)3;1-13-3-8-21(33-13)34(31,32)27-23(30)26-16-4-6-17(7-5-16)28-14(2)25-20-12-19-15(9-10-24-19)11-18(20)22(28)29/h4-11,14H,12-13H2,1-3H3,(H2,28,29,33);3-8,11-12,24H,9-10H2,1-2H3,(H2,26,27,30)
InChIKeyIUEHGBLTKOWZRL-UHFFFAOYSA-N
MW1032.22 g/mol
LogP6.81
Rot. Bonds9

About 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (PubChem CID 91603959) has the molecular formula C48H45N11O8S4 and a molecular weight of 1032.22 g/mol. Its IUPAC name is 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
PubChem CID91603959
Molecular FormulaC48H45N11O8S4
Molecular Weight1032.22 g/mol
Exact Mass1031.23
IUPAC Name1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(C5=NCCN5C)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc5c(cc4c3=O)CCN5)cc2)s1
InChIInChI=1S/C25H24N6O4S2.C23H21N5O4S2/c1-15-4-11-22(36-15)37(34,35)29-25(33)28-18-6-8-19(9-7-18)31-16(2)27-21-14-17(5-10-20(21)24(31)32)23-26-12-13-30(23)3;1-13-3-8-21(33-13)34(31,32)27-23(30)26-16-4-6-17(7-5-16)28-14(2)25-20-12-19-15(9-10-24-19)11-18(20)22(28)29/h4-11,14H,12-13H2,1-3H3,(H2,28,29,33);3-8,11-12,24H,9-10H2,1-2H3,(H2,26,27,30)
InChIKeyIUEHGBLTKOWZRL-UHFFFAOYSA-N
XLogP6.81
TPSA247.95 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.22
LogP ≤ 56.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]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-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The IUPAC name of 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (CID 91603959) is 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(C5=NCCN5C)ccc4c3=O)cc2)s1.Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc5c(cc4c3=O)CCN5)cc2)s1.
What is the InChIKey of 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The InChIKey is IUEHGBLTKOWZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4S2.C23H21N5O4S2/c1-15-4-11-22(36-15)37(34,35)29-25(33)28-18-6-8-19(9-7-18)31-16(2)27-21-14-17(5-10-20(21)24(31)32)23-26-12-13-30(23)3;1-13-3-8-21(33-13)34(31,32)27-23(30)26-16-4-6-17(7-5-16)28-14(2)25-20-12-19-15(9-10-24-19)11-18(20)22(28)29/h4-11,14H,12-13H2,1-3H3,(H2,28,29,33);3-8,11-12,24H,9-10H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea has a molecular weight of 1032.22 g/mol, XLogP of 6.81, 9 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[3,2-g]quinazolin-3-yl)phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 91603959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).