7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one

C18H16N6O — CID 39834328

IUPAC7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one
SMILESCc1ccc2c(=O)n(CCc3nc(-c4cccnc4)n[nH]3)cnc2c1
InChIInChI=1S/C18H16N6O/c1-12-4-5-14-15(9-12)20-11-24(18(14)25)8-6-16-21-17(23-22-16)13-3-2-7-19-10-13/h2-5,7,9-11H,6,8H2,1H3,(H,21,22,23)
InChIKeyCHDWWNXYNLSCID-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.13
Rot. Bonds4

About 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one

7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one (PubChem CID 39834328) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one
PubChem CID39834328
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one
SMILESCc1ccc2c(=O)n(CCc3nc(-c4cccnc4)n[nH]3)cnc2c1
InChIInChI=1S/C18H16N6O/c1-12-4-5-14-15(9-12)20-11-24(18(14)25)8-6-16-21-17(23-22-16)13-3-2-7-19-10-13/h2-5,7,9-11H,6,8H2,1H3,(H,21,22,23)
InChIKeyCHDWWNXYNLSCID-UHFFFAOYSA-N
XLogP2.13
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one with MolForge

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Related Compounds

3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
3-[5-(2-bromoethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 123335634
3-[5-[2-[2-[(1S)-1-phenylethyl]imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 95455784
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264503
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 131918014
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 46983110
3-[5-[2-[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 56871065
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]ethanone
CID 50977494
1-(1-ethyl-3-methylpyrazol-4-yl)-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 72864109
3-(2-hydroxypropyl)-7-methylquinazolin-4-one
CID 117264166
7-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 90989362

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one?
The IUPAC name of 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one (CID 39834328) is 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one is Cc1ccc2c(=O)n(CCc3nc(-c4cccnc4)n[nH]3)cnc2c1.
What is the InChIKey of 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one?
The InChIKey is CHDWWNXYNLSCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-4-5-14-15(9-12)20-11-24(18(14)25)8-6-16-21-17(23-22-16)13-3-2-7-19-10-13/h2-5,7,9-11H,6,8H2,1H3,(H,21,22,23).
What are the key properties of 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one?
7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one has a molecular weight of 332.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 39834328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).