5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide

C31H25FN4O3 — CID 158560035

IUPAC5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3c2-c2cc(C(C)(C)O)ncc2C3)cccc1-n1cnc2c(F)cccc2c1=O
InChIInChI=1S/C31H25FN4O3/c1-16-18(6-5-9-25(16)36-15-35-28-21(30(36)38)7-4-8-24(28)32)19-10-11-20(29(33)37)23-12-17-14-34-26(31(2,3)39)13-22(17)27(19)23/h4-11,13-15,39H,12H2,1-3H3,(H2,33,37)
InChIKeyHQTOWINKQNJKOZ-UHFFFAOYSA-N
MW520.56 g/mol
LogP4.79
Rot. Bonds4

About 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide

5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide (PubChem CID 158560035) has the molecular formula C31H25FN4O3 and a molecular weight of 520.56 g/mol. Its IUPAC name is 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide
PubChem CID158560035
Molecular FormulaC31H25FN4O3
Molecular Weight520.56 g/mol
Exact Mass520.19
IUPAC Name5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3c2-c2cc(C(C)(C)O)ncc2C3)cccc1-n1cnc2c(F)cccc2c1=O
InChIInChI=1S/C31H25FN4O3/c1-16-18(6-5-9-25(16)36-15-35-28-21(30(36)38)7-4-8-24(28)32)19-10-11-20(29(33)37)23-12-17-14-34-26(31(2,3)39)13-22(17)27(19)23/h4-11,13-15,39H,12H2,1-3H3,(H2,33,37)
InChIKeyHQTOWINKQNJKOZ-UHFFFAOYSA-N
XLogP4.79
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide
CID 159956886
4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(methanesulfinamidomethyl)-9H-carbazole-1-carboxamide
CID 141366359
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-fluorene-1-carboxamide
CID 158520648
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
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-1H-indole-7-carboxamide
CID 121293860
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide
CID 171457679
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-8,9-dihydro-7H-benzo[7]annulene-1-carboxamide
CID 167096586
4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
CID 86763132
3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide
CID 158565816
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-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-3H-benzimidazole-4-carbonitrile;7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-benzimidazole-4-carboxamide
CID 157100775

Frequently Asked Questions

What is the IUPAC name of 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide?
The IUPAC name of 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) is 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide.
What is the SMILES notation for 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide?
The canonical SMILES for 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide is Cc1c(-c2ccc(C(N)=O)c3c2-c2cc(C(C)(C)O)ncc2C3)cccc1-n1cnc2c(F)cccc2c1=O.
What is the InChIKey of 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide?
The InChIKey is HQTOWINKQNJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4O3/c1-16-18(6-5-9-25(16)36-15-35-28-21(30(36)38)7-4-8-24(28)32)19-10-11-20(29(33)37)23-12-17-14-34-26(31(2,3)39)13-22(17)27(19)23/h4-11,13-15,39H,12H2,1-3H3,(H2,33,37).
What are the key properties of 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide?
5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide has a molecular weight of 520.56 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide is sourced from PubChem (CID 158560035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).