8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one

C15H13N3O2 — CID 39819400

IUPAC8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESCOc1cccc2c(=O)n(Cc3cccnc3)cnc12
InChIInChI=1S/C15H13N3O2/c1-20-13-6-2-5-12-14(13)17-10-18(15(12)19)9-11-4-3-7-16-8-11/h2-8,10H,9H2,1H3
InChIKeyHZECAQVUFLJDSU-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.85
Rot. Bonds3

About 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one

8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one (PubChem CID 39819400) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one
PubChem CID39819400
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one
SMILESCOc1cccc2c(=O)n(Cc3cccnc3)cnc12
InChIInChI=1S/C15H13N3O2/c1-20-13-6-2-5-12-14(13)17-10-18(15(12)19)9-11-4-3-7-16-8-11/h2-8,10H,9H2,1H3
InChIKeyHZECAQVUFLJDSU-UHFFFAOYSA-N
XLogP1.85
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
1-(2,4-Difluorobenzyl)-6-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}quinazolin-4(1h)-One
CID 71563398
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
CID 2989253
3-(2-Methoxy-phenyl)-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
CID 654405
N-tert-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 664893
N-(2-methoxyphenyl)nicotinamide
CID 787042
3-methoxy-N-(4-pyridinyl)benzamide
CID 814763
2-Methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557473
2-Isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557474
1-[(2,4-Difluorophenyl)methyl]-7-fluoro-6-[[3-(trifluoromethyl)-2-pyridyl]oxy]quinazolin-4-one
CID 51033687
1-(p-Tolylmethyl)-6-[[3-(trifluoromethyl)-2-pyridyl]oxy]quinazolin-4-one
CID 51033690

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one (CID 39819400) is 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one is COc1cccc2c(=O)n(Cc3cccnc3)cnc12.
What is the InChIKey of 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one?
The InChIKey is HZECAQVUFLJDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-13-6-2-5-12-14(13)17-10-18(15(12)19)9-11-4-3-7-16-8-11/h2-8,10H,9H2,1H3.
What are the key properties of 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one?
8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(pyridin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 39819400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).