3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one

C21H21N3O3 — CID 39352426

IUPAC3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one
SMILESCOc1ccccc1-n1cnc2cc(C(=O)N3CCCCC3)ccc2c1=O
InChIInChI=1S/C21H21N3O3/c1-27-19-8-4-3-7-18(19)24-14-22-17-13-15(9-10-16(17)21(24)26)20(25)23-11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyRQNNFDDNXNRWRO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one

3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one (PubChem CID 39352426) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one
PubChem CID39352426
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one
SMILESCOc1ccccc1-n1cnc2cc(C(=O)N3CCCCC3)ccc2c1=O
InChIInChI=1S/C21H21N3O3/c1-27-19-8-4-3-7-18(19)24-14-22-17-13-15(9-10-16(17)21(24)26)20(25)23-11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyRQNNFDDNXNRWRO-UHFFFAOYSA-N
XLogP3.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39342674
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide
CID 39347985
1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
CID 45495121
3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172663458
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249260
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
(4-iodo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 155908718
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one (CID 39352426) is 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one is COc1ccccc1-n1cnc2cc(C(=O)N3CCCCC3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one?
The InChIKey is RQNNFDDNXNRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-19-8-4-3-7-18(19)24-14-22-17-13-15(9-10-16(17)21(24)26)20(25)23-11-5-2-6-12-23/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one?
3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one has a molecular weight of 363.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one is sourced from PubChem (CID 39352426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).