4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide

C30H24FN5O3S — CID 141366359

IUPAC4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(CNS(C)=O)ccc4c23)cccc1-n1cnc2c(F)cccc2c1=O
InChIInChI=1S/C30H24FN5O3S/c1-16-18(5-4-8-25(16)36-15-33-27-22(30(36)38)6-3-7-23(27)31)19-11-12-21(29(32)37)28-26(19)20-10-9-17(13-24(20)35-28)14-34-40(2)39/h3-13,15,34-35H,14H2,1-2H3,(H2,32,37)
InChIKeyATMVACJFJWBPDN-UHFFFAOYSA-N
MW553.62 g/mol
LogP4.62
Rot. Bonds6

About 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide

4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide (PubChem CID 141366359) has the molecular formula C30H24FN5O3S and a molecular weight of 553.62 g/mol. Its IUPAC name is 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide
PubChem CID141366359
Molecular FormulaC30H24FN5O3S
Molecular Weight553.62 g/mol
Exact Mass553.16
IUPAC Name4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(CNS(C)=O)ccc4c23)cccc1-n1cnc2c(F)cccc2c1=O
InChIInChI=1S/C30H24FN5O3S/c1-16-18(5-4-8-25(16)36-15-33-27-22(30(36)38)6-3-7-23(27)31)19-11-12-21(29(32)37)28-26(19)20-10-9-17(13-24(20)35-28)14-34-40(2)39/h3-13,15,34-35H,14H2,1-2H3,(H2,32,37)
InChIKeyATMVACJFJWBPDN-UHFFFAOYSA-N
XLogP4.62
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.62
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide with MolForge

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Related Compounds

4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366090
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366015
3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide
CID 70652011
7-hydroxy-4-[3-(1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 91392090
4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide
CID 59375101
5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide
CID 158560035
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-1H-indole-7-carboxamide
CID 121293860
ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate
CID 59375158
7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-benzimidazole-4-carboxamide
CID 163411671
4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
CID 86763132
7-amino-4-[3-(5-tert-butyl-1-hydroxyisoindol-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 90761844
8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylic acid
CID 59375023

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide (CID 141366359) is 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(CNS(C)=O)ccc4c23)cccc1-n1cnc2c(F)cccc2c1=O.
What is the InChIKey of 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide?
The InChIKey is ATMVACJFJWBPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O3S/c1-16-18(5-4-8-25(16)36-15-33-27-22(30(36)38)6-3-7-23(27)31)19-11-12-21(29(32)37)28-26(19)20-10-9-17(13-24(20)35-28)14-34-40(2)39/h3-13,15,34-35H,14H2,1-2H3,(H2,32,37).
What are the key properties of 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide?
4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide has a molecular weight of 553.62 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141366359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).