2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one

C21H23N3O — CID 71762525

IUPAC2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESCC(C)Cc1ccc2nc(C3CC3)n(Cc3cccnc3)c(=O)c2c1
InChIInChI=1S/C21H23N3O/c1-14(2)10-15-5-8-19-18(11-15)21(25)24(20(23-19)17-6-7-17)13-16-4-3-9-22-12-16/h3-5,8-9,11-12,14,17H,6-7,10,13H2,1-2H3
InChIKeyUXTJKALCDUIIOH-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.92
Rot. Bonds5

About 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one

2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one (PubChem CID 71762525) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
PubChem CID71762525
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESCC(C)Cc1ccc2nc(C3CC3)n(Cc3cccnc3)c(=O)c2c1
InChIInChI=1S/C21H23N3O/c1-14(2)10-15-5-8-19-18(11-15)21(25)24(20(23-19)17-6-7-17)13-16-4-3-9-22-12-16/h3-5,8-9,11-12,14,17H,6-7,10,13H2,1-2H3
InChIKeyUXTJKALCDUIIOH-UHFFFAOYSA-N
XLogP3.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopropyl-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 71762071
N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 1456557
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 62506035
6-amino-3-[(4-chlorophenyl)methyl]-2-cyclopropylquinazolin-4-one
CID 1456616
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
CID 1456521
N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide
CID 1456550
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 46672895
7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 67112722
N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456638
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
CID 117160904
N,N-bis(2-methylpropyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 27734504
N-(2-methylpropyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
CID 46625010

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one (CID 71762525) is 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one is CC(C)Cc1ccc2nc(C3CC3)n(Cc3cccnc3)c(=O)c2c1.
What is the InChIKey of 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The InChIKey is UXTJKALCDUIIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(2)10-15-5-8-19-18(11-15)21(25)24(20(23-19)17-6-7-17)13-16-4-3-9-22-12-16/h3-5,8-9,11-12,14,17H,6-7,10,13H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one?
2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one has a molecular weight of 333.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 71762525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).