7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one

C17H17N3O2 — CID 67112722

IUPAC7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESCC(C)c1nc2cc(O)ccc2c(=O)n1Cc1cccnc1
InChIInChI=1S/C17H17N3O2/c1-11(2)16-19-15-8-13(21)5-6-14(15)17(22)20(16)10-12-4-3-7-18-9-12/h3-9,11,21H,10H2,1-2H3
InChIKeyLDRZSKFESAJDLO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.67
Rot. Bonds3

About 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one

7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one (PubChem CID 67112722) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one
PubChem CID67112722
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESCC(C)c1nc2cc(O)ccc2c(=O)n1Cc1cccnc1
InChIInChI=1S/C17H17N3O2/c1-11(2)16-19-15-8-13(21)5-6-14(15)17(22)20(16)10-12-4-3-7-18-9-12/h3-9,11,21H,10H2,1-2H3
InChIKeyLDRZSKFESAJDLO-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)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

Related Compounds

7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
CID 53402974
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
2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-propylpropanamide
CID 51236261
7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048788
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 46672895
2-cyclopropyl-6-(2-methylpropyl)-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 71762525
2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
CID 22238798
2-(1-chloroethyl)-5-methyl-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136372
3-propanoyl-2-propan-2-yl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid
CID 69226157
[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-2-methylpropyl]carbamic acid
CID 22172618
6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79302307

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one (CID 67112722) is 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one is CC(C)c1nc2cc(O)ccc2c(=O)n1Cc1cccnc1.
What is the InChIKey of 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The InChIKey is LDRZSKFESAJDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)16-19-15-8-13(21)5-6-14(15)17(22)20(16)10-12-4-3-7-18-9-12/h3-9,11,21H,10H2,1-2H3.
What are the key properties of 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one?
7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 67112722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).