(2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C18H16N4O2 — CID 95308221

IUPAC(2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ncc[nH]2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-13-8-6-12(7-9-13)22-17(16-19-10-11-20-16)21-15-5-3-2-4-14(15)18(22)23/h2-11,17,21H,1H3,(H,19,20)/t17-/m0/s1
InChIKeyFEWUZALOGWAZMK-KRWDZBQOSA-N
MW320.35 g/mol
LogP3.19
Rot. Bonds3

About (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

(2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 95308221) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID95308221
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ncc[nH]2)cc1
InChIInChI=1S/C18H16N4O2/c1-24-13-8-6-12(7-9-13)22-17(16-19-10-11-20-16)21-15-5-3-2-4-14(15)18(22)23/h2-11,17,21H,1H3,(H,19,20)/t17-/m0/s1
InChIKeyFEWUZALOGWAZMK-KRWDZBQOSA-N
XLogP3.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(4-methoxyphenyl)-2-(1H-pyrazol-5-yl)-1,2-dihydroquinazolin-4-one
CID 95308249
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006450
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006434
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011773
3-(4-methoxyphenyl)-2-(2-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 4113412

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 95308221) is (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ncc[nH]2)cc1.
What is the InChIKey of (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is FEWUZALOGWAZMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-13-8-6-12(7-9-13)22-17(16-19-10-11-20-16)21-15-5-3-2-4-14(15)18(22)23/h2-11,17,21H,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 320.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 95308221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).