N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C29H31N5O3 — CID 44580491

IUPACN-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCCCCn1c(=O)[nH]c2cc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)ccc2c1=O
InChIInChI=1S/C29H31N5O3/c1-3-4-15-34-28(36)23-10-8-20(16-25(23)32-29(34)37)24-18-22(9-7-19(24)2)31-27(35)21-11-12-30-26(17-21)33-13-5-6-14-33/h7-12,16-18H,3-6,13-15H2,1-2H3,(H,31,35)(H,32,37)
InChIKeyCBEOGLQHMQIJNK-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.71
Rot. Bonds7

About N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 44580491) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID44580491
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC NameN-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCCCCn1c(=O)[nH]c2cc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)ccc2c1=O
InChIInChI=1S/C29H31N5O3/c1-3-4-15-34-28(36)23-10-8-20(16-25(23)32-29(34)37)24-18-22(9-7-19(24)2)31-27(35)21-11-12-30-26(17-21)33-13-5-6-14-33/h7-12,16-18H,3-6,13-15H2,1-2H3,(H,31,35)(H,32,37)
InChIKeyCBEOGLQHMQIJNK-UHFFFAOYSA-N
XLogP4.71
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-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 N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 44580491) is N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is CCCCn1c(=O)[nH]c2cc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)ccc2c1=O.
What is the InChIKey of N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is CBEOGLQHMQIJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-3-4-15-34-28(36)23-10-8-20(16-25(23)32-29(34)37)24-18-22(9-7-19(24)2)31-27(35)21-11-12-30-26(17-21)33-13-5-6-14-33/h7-12,16-18H,3-6,13-15H2,1-2H3,(H,31,35)(H,32,37).
What are the key properties of N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-butyl-2,4-dioxo-1H-quinazolin-7-yl)-4-methylphenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 44580491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).