(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one

C17H19N3O2 — CID 95167759

IUPAC(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2N[C@H]1c1cccnc1
InChIInChI=1S/C17H19N3O2/c1-22-11-5-10-20-16(13-6-4-9-18-12-13)19-15-8-3-2-7-14(15)17(20)21/h2-4,6-9,12,16,19H,5,10-11H2,1H3/t16-/m1/s1
InChIKeyJBCWTDYJWGGBLZ-MRXNPFEDSA-N
MW297.36 g/mol
LogP2.68
Rot. Bonds5

About (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one

(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 95167759) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID95167759
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
SMILESCOCCCN1C(=O)c2ccccc2N[C@H]1c1cccnc1
InChIInChI=1S/C17H19N3O2/c1-22-11-5-10-20-16(13-6-4-9-18-12-13)19-15-8-3-2-7-14(15)17(20)21/h2-4,6-9,12,16,19H,5,10-11H2,1H3/t16-/m1/s1
InChIKeyJBCWTDYJWGGBLZ-MRXNPFEDSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-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

3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778646
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778638
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778728
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
(2S)-2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 95167768
2-(furan-2-yl)-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778713
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 3447673
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778649
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54779965
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one (CID 95167759) is (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is COCCCN1C(=O)c2ccccc2N[C@H]1c1cccnc1.
What is the InChIKey of (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is JBCWTDYJWGGBLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-11-5-10-20-16(13-6-4-9-18-12-13)19-15-8-3-2-7-14(15)17(20)21/h2-4,6-9,12,16,19H,5,10-11H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one?
(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 95167759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).