4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide

C33H29FN4O4 — CID 141366051

IUPAC4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)OCCO)ccc4c23)cccc1-n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C33H29FN4O4/c1-18-21(5-4-6-28(18)38-17-36-26-12-8-20(34)16-25(26)32(38)41)22-10-11-24(31(35)40)30-29(22)23-9-7-19(15-27(23)37-30)33(2,3)42-14-13-39/h4-12,15-17,37,39H,13-14H2,1-3H3,(H2,35,40)
InChIKeyCIPLGJBBHNAVEH-UHFFFAOYSA-N
MW564.62 g/mol
LogP5.48
Rot. Bonds7

About 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide

4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide (PubChem CID 141366051) has the molecular formula C33H29FN4O4 and a molecular weight of 564.62 g/mol. Its IUPAC name is 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide
PubChem CID141366051
Molecular FormulaC33H29FN4O4
Molecular Weight564.62 g/mol
Exact Mass564.22
IUPAC Name4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)OCCO)ccc4c23)cccc1-n1cnc2ccc(F)cc2c1=O
InChIInChI=1S/C33H29FN4O4/c1-18-21(5-4-6-28(18)38-17-36-26-12-8-20(34)16-25(26)32(38)41)22-10-11-24(31(35)40)30-29(22)23-9-7-19(15-27(23)37-30)33(2,3)42-14-13-39/h4-12,15-17,37,39H,13-14H2,1-3H3,(H2,35,40)
InChIKeyCIPLGJBBHNAVEH-UHFFFAOYSA-N
XLogP5.48
TPSA123.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.62
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9H-Carbazole-1-carboxamide, 7-(1,2-dihydroxyethyl)-4-[3-(6-fluoro-4-oxo-3(4H)-quinazolinyl)-2-methylphenyl]-
CID 46833815
4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-3-methyl-9H-carbazole-1-carboxamide
CID 86580693
3-fluoro-4-(3-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3 (4H)-yl)-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 86582648
7-(2-hydroxypropan-2-yl)-4-[3-(6-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 90467831
7-(2-hydroxypropan-2-yl)-4-[3-(5-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazole-1-carboxamide
CID 90467832
4-(3-(5-fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl)-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 90468112
4-(3-(5-chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl)-2-methylphenyl)-3-fluoro-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 117771228
US10266491, Example 37
CID 130362292
4-[2-Fluoro-3-(4-Oxoquinazolin-3(4h)-Yl)phenyl]-7-(2-Hydroxypropan-2-Yl)-9h-Carbazole-1-Carboxamide
CID 121499156
4-(3-(6-Fluoro-1-oxoisoindolin-2-yl)-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 46220516
4-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 70647721
7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide
CID 70647727

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide (CID 141366051) is 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)OCCO)ccc4c23)cccc1-n1cnc2ccc(F)cc2c1=O.
What is the InChIKey of 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide?
The InChIKey is CIPLGJBBHNAVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O4/c1-18-21(5-4-6-28(18)38-17-36-26-12-8-20(34)16-25(26)32(38)41)22-10-11-24(31(35)40)30-29(22)23-9-7-19(15-27(23)37-30)33(2,3)42-14-13-39/h4-12,15-17,37,39H,13-14H2,1-3H3,(H2,35,40).
What are the key properties of 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide?
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide has a molecular weight of 564.62 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-[2-(2-hydroxyethoxy)propan-2-yl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141366051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).