(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

C18H16N4O2 — CID 35957655

IUPAC(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc(-c2[nH]ncc2[C@@H]2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-12-8-6-11(7-9-12)16-14(10-19-22-16)17-20-15-5-3-2-4-13(15)18(23)21-17/h2-10,17,20H,1H3,(H,19,22)(H,21,23)/t17-/m0/s1
InChIKeyDJTWHXVOJQTXKS-KRWDZBQOSA-N
MW320.35 g/mol
LogP2.94
Rot. Bonds3

About (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 35957655) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID35957655
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESCOc1ccc(-c2[nH]ncc2[C@@H]2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-12-8-6-11(7-9-12)16-14(10-19-22-16)17-20-15-5-3-2-4-13(15)18(23)21-17/h2-10,17,20H,1H3,(H,19,22)(H,21,23)/t17-/m0/s1
InChIKeyDJTWHXVOJQTXKS-KRWDZBQOSA-N
XLogP2.94
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-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

[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene
CID 3280573
4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
CID 133064301
(12R)-3-benzyl-12-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-one
CID 125123103
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
CID 72724048
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632655
N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine
CID 45378896
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one
CID 101246039
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 17407034

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one (CID 35957655) is (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one is COc1ccc(-c2[nH]ncc2[C@@H]2NC(=O)c3ccccc3N2)cc1.
What is the InChIKey of (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is DJTWHXVOJQTXKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-12-8-6-11(7-9-12)16-14(10-19-22-16)17-20-15-5-3-2-4-13(15)18(23)21-17/h2-10,17,20H,1H3,(H,19,22)(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one?
(2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 35957655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).