4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide

C30H23FN4O3 — CID 121499156

IUPAC4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
SMILESCC(C)(O)c1ccc2c(c1)[nH]c1c(C(N)=O)ccc(-c3cccc(-n4cnc5ccccc5c4=O)c3F)c12
InChIInChI=1S/C30H23FN4O3/c1-30(2,38)16-10-11-19-23(14-16)34-27-21(28(32)36)13-12-17(25(19)27)18-7-5-9-24(26(18)31)35-15-33-22-8-4-3-6-20(22)29(35)37/h3-15,34,38H,1-2H3,(H2,32,36)
InChIKeyWYDRUGJOWSJDHU-UHFFFAOYSA-N
MW506.54 g/mol
LogP5.15
Rot. Bonds4

About 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide

4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide (PubChem CID 121499156) has the molecular formula C30H23FN4O3 and a molecular weight of 506.54 g/mol. Its IUPAC name is 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
PubChem CID121499156
Molecular FormulaC30H23FN4O3
Molecular Weight506.54 g/mol
Exact Mass506.18
IUPAC Name4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
SMILESCC(C)(O)c1ccc2c(c1)[nH]c1c(C(N)=O)ccc(-c3cccc(-n4cnc5ccccc5c4=O)c3F)c12
InChIInChI=1S/C30H23FN4O3/c1-30(2,38)16-10-11-19-23(14-16)34-27-21(28(32)36)13-12-17(25(19)27)18-7-5-9-24(26(18)31)35-15-33-22-8-4-3-6-20(22)29(35)37/h3-15,34,38H,1-2H3,(H2,32,36)
InChIKeyWYDRUGJOWSJDHU-UHFFFAOYSA-N
XLogP5.15
TPSA114.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide (CID 121499156) is 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide is CC(C)(O)c1ccc2c(c1)[nH]c1c(C(N)=O)ccc(-c3cccc(-n4cnc5ccccc5c4=O)c3F)c12.
What is the InChIKey of 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The InChIKey is WYDRUGJOWSJDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O3/c1-30(2,38)16-10-11-19-23(14-16)34-27-21(28(32)36)13-12-17(25(19)27)18-7-5-9-24(26(18)31)35-15-33-22-8-4-3-6-20(22)29(35)37/h3-15,34,38H,1-2H3,(H2,32,36).
What are the key properties of 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide has a molecular weight of 506.54 g/mol, XLogP of 5.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(4-oxoquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 121499156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).