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

C29H22N4O3 — CID 70647727

IUPAC7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(CO)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C29H22N4O3/c1-16-18(6-4-8-25(16)33-15-31-23-7-3-2-5-21(23)29(33)36)19-11-12-22(28(30)35)27-26(19)20-10-9-17(14-34)13-24(20)32-27/h2-13,15,32,34H,14H2,1H3,(H2,30,35)
InChIKeyBLCYNCYEVKSIKF-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.59
Rot. Bonds4

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

7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (PubChem CID 70647727) has the molecular formula C29H22N4O3 and a molecular weight of 474.52 g/mol. Its IUPAC name is 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide
PubChem CID70647727
Molecular FormulaC29H22N4O3
Molecular Weight474.52 g/mol
Exact Mass474.17
IUPAC Name7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(CO)ccc4c23)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C29H22N4O3/c1-16-18(6-4-8-25(16)33-15-31-23-7-3-2-5-21(23)29(33)36)19-11-12-22(28(30)35)27-26(19)20-10-9-17(14-34)13-24(20)32-27/h2-13,15,32,34H,14H2,1H3,(H2,30,35)
InChIKeyBLCYNCYEVKSIKF-UHFFFAOYSA-N
XLogP4.59
TPSA114.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (CID 70647727) is 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(CO)ccc4c23)cccc1-n1cnc2ccccc2c1=O.
What is the InChIKey of 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide?
The InChIKey is BLCYNCYEVKSIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O3/c1-16-18(6-4-8-25(16)33-15-31-23-7-3-2-5-21(23)29(33)36)19-11-12-22(28(30)35)27-26(19)20-10-9-17(14-34)13-24(20)32-27/h2-13,15,32,34H,14H2,1H3,(H2,30,35).
What are the key properties of 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide?
7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 4.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 70647727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).