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

C20H17N3O2 — CID 75412903

IUPAC3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc(N2C(=O)c3ccccc3NC2c2ccccn2)c1
InChIInChI=1S/C20H17N3O2/c1-25-15-8-6-7-14(13-15)23-19(18-11-4-5-12-21-18)22-17-10-3-2-9-16(17)20(23)24/h2-13,19,22H,1H3
InChIKeyIHTWGOWZWSJIDG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.86
Rot. Bonds3

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

3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 75412903) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID75412903
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESCOc1cccc(N2C(=O)c3ccccc3NC2c2ccccn2)c1
InChIInChI=1S/C20H17N3O2/c1-25-15-8-6-7-14(13-15)23-19(18-11-4-5-12-21-18)22-17-10-3-2-9-16(17)20(23)24/h2-13,19,22H,1H3
InChIKeyIHTWGOWZWSJIDG-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 17409789
5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 25349071
(2S)-2-(3-bromo-4-hydroxyphenyl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25354877
2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 155803459
3-(2,4-dimethoxyphenyl)-2-(2-phenyltriazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 17464113
(2R)-2-(4-methoxyphenyl)-3-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 686642
3-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687475
2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
N-ethyl-2-[2-methoxy-4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 55355452
(2S)-2-(1H-imidazol-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 95308221
(2S)-3-(3-methoxyphenyl)-2-[4-(methylamino)-3-nitrophenyl]-1,2-dihydroquinazolin-4-one
CID 52529927
(2R)-3-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 40790567

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (CID 75412903) is 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is COc1cccc(N2C(=O)c3ccccc3NC2c2ccccn2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is IHTWGOWZWSJIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-25-15-8-6-7-14(13-15)23-19(18-11-4-5-12-21-18)22-17-10-3-2-9-16(17)20(23)24/h2-13,19,22H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 75412903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).