3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one

C18H18N4O — CID 51083180

IUPAC3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one
SMILESO=c1c2ccccc2nc(NCCc2ccccn2)n1C1CC1
InChIInChI=1S/C18H18N4O/c23-17-15-6-1-2-7-16(15)21-18(22(17)14-8-9-14)20-12-10-13-5-3-4-11-19-13/h1-7,11,14H,8-10,12H2,(H,20,21)
InChIKeyRLJGUMADYNGTBK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.78
Rot. Bonds5

About 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one

3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one (PubChem CID 51083180) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one
PubChem CID51083180
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one
SMILESO=c1c2ccccc2nc(NCCc2ccccn2)n1C1CC1
InChIInChI=1S/C18H18N4O/c23-17-15-6-1-2-7-16(15)21-18(22(17)14-8-9-14)20-12-10-13-5-3-4-11-19-13/h1-7,11,14H,8-10,12H2,(H,20,21)
InChIKeyRLJGUMADYNGTBK-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclohexyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 38921957
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 55360146
3-(4-methylcyclohexyl)-2-methylsulfanylquinazolin-4-one
CID 154830982
4-methoxy-N-(2-pyridin-2-ylethyl)quinoline-2-carboxamide
CID 54723542
3-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]quinazolin-4-one
CID 122133317
3-chloro-N-(2-pyridin-2-ylethyl)quinoxalin-2-amine
CID 23770473
1-nitro-N-(2-pyridin-2-ylethyl)acridin-9-amine;dihydrochloride
CID 21142984
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 58869665
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one?
The IUPAC name of 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one (CID 51083180) is 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one?
The canonical SMILES for 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one is O=c1c2ccccc2nc(NCCc2ccccn2)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one?
The InChIKey is RLJGUMADYNGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-17-15-6-1-2-7-16(15)21-18(22(17)14-8-9-14)20-12-10-13-5-3-4-11-19-13/h1-7,11,14H,8-10,12H2,(H,20,21).
What are the key properties of 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one?
3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-pyridin-2-ylethylamino)quinazolin-4-one is sourced from PubChem (CID 51083180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).