2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

C28H31N5O3 — CID 54581898

IUPAC2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)n4)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C28H31N5O3/c1-18(2)29-26(34)17-33-27(20-8-6-10-22(14-20)36-5)31-25-13-12-19(15-23(25)28(33)35)24-11-7-9-21(30-24)16-32(3)4/h6-15,18H,16-17H2,1-5H3,(H,29,34)
InChIKeyXJMMTORGUXAPBN-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.72
Rot. Bonds8

About 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 54581898) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID54581898
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)n4)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C28H31N5O3/c1-18(2)29-26(34)17-33-27(20-8-6-10-22(14-20)36-5)31-25-13-12-19(15-23(25)28(33)35)24-11-7-9-21(30-24)16-32(3)4/h6-15,18H,16-17H2,1-5H3,(H,29,34)
InChIKeyXJMMTORGUXAPBN-UHFFFAOYSA-N
XLogP3.72
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide 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 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (CID 54581898) is 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc3ccc(-c4cccc(CN(C)C)n4)cc3c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is XJMMTORGUXAPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18(2)29-26(34)17-33-27(20-8-6-10-22(14-20)36-5)31-25-13-12-19(15-23(25)28(33)35)24-11-7-9-21(30-24)16-32(3)4/h6-15,18H,16-17H2,1-5H3,(H,29,34).
What are the key properties of 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 485.59 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[(dimethylamino)methyl]-2-pyridinyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 54581898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).