3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide

C18H18N4O3 — CID 39046243

IUPAC3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
SMILESCOCCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C18H18N4O3/c1-25-11-10-22-16(17(23)20-12-13-6-8-19-9-7-13)21-15-5-3-2-4-14(15)18(22)24/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyXQQMIVDURPUSOM-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.37
Rot. Bonds6

About 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide

3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide (PubChem CID 39046243) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
PubChem CID39046243
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
SMILESCOCCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C18H18N4O3/c1-25-11-10-22-16(17(23)20-12-13-6-8-19-9-7-13)21-15-5-3-2-4-14(15)18(22)24/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyXQQMIVDURPUSOM-UHFFFAOYSA-N
XLogP1.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
CID 39313481
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
N-(2-hydroxyethyl)-3-(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
CID 39341503
3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 71593748
tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate
CID 11427584
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611271
N-[(2-chlorophenyl)methyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7455992
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 7493416
N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39335309
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 141129820
3-(2-methoxyethyl)-2-[(1S)-1-(propylamino)ethyl]quinazolin-4-one
CID 7231165

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide (CID 39046243) is 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide is COCCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The InChIKey is XQQMIVDURPUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-11-10-22-16(17(23)20-12-13-6-8-19-9-7-13)21-15-5-3-2-4-14(15)18(22)24/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide is sourced from PubChem (CID 39046243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).