2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one

C17H18N4O2 — CID 135402732

IUPAC2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCCc1cc(NCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1C
InChIInChI=1S/C17H18N4O2/c1-3-11-8-14(17(23)19-10(11)2)18-9-15-20-13-7-5-4-6-12(13)16(22)21-15/h4-8,18H,3,9H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyWGMVLQBTABYLIV-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.09
Rot. Bonds4

About 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one

2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135402732) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135402732
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one
SMILESCCc1cc(NCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1C
InChIInChI=1S/C17H18N4O2/c1-3-11-8-14(17(23)19-10(11)2)18-9-15-20-13-7-5-4-6-12(13)16(22)21-15/h4-8,18H,3,9H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyWGMVLQBTABYLIV-UHFFFAOYSA-N
XLogP2.09
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one 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-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one (CID 135402732) is 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one is CCc1cc(NCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1C.
What is the InChIKey of 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is WGMVLQBTABYLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-11-8-14(17(23)19-10(11)2)18-9-15-20-13-7-5-4-6-12(13)16(22)21-15/h4-8,18H,3,9H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one?
2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 310.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135402732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).