7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one

C19H22N6O3 — CID 56702148

IUPAC7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
SMILESCCn1c(C2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)n[nH]c1=O
InChIInChI=1S/C19H22N6O3/c1-3-25-16(21-22-19(25)28)13-5-4-8-24(10-13)17(26)12-6-7-14-15(9-12)20-11-23(2)18(14)27/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,22,28)
InChIKeyBCGJAWSFACZLHI-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.86
Rot. Bonds3

About 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one

7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one (PubChem CID 56702148) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
PubChem CID56702148
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
SMILESCCn1c(C2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)n[nH]c1=O
InChIInChI=1S/C19H22N6O3/c1-3-25-16(21-22-19(25)28)13-5-4-8-24(10-13)17(26)12-6-7-14-15(9-12)20-11-23(2)18(14)27/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,22,28)
InChIKeyBCGJAWSFACZLHI-UHFFFAOYSA-N
XLogP0.86
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-3-[(3R)-1-[3-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95193570
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
3-[(3R)-1-(1,5-dimethylindazole-3-carbonyl)piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95200078
4-ethyl-3-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50971877
7-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 56878661
4-ethyl-3-[(3R)-1-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95219910
3-[(3S)-1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95205468
4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56740506
(5S)-9-(3-methyl-4-oxoquinazoline-7-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724265
5-[(3R)-1-(4-chloro-3-fluorobenzoyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 95214059
1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 56702577
(3S,4S)-1-(3-methyl-4-oxoquinazoline-7-carbonyl)-4-propylpyrrolidine-3-carboxylic acid
CID 70725153

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one (CID 56702148) is 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one is CCn1c(C2CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C2)n[nH]c1=O.
What is the InChIKey of 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one?
The InChIKey is BCGJAWSFACZLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-3-25-16(21-22-19(25)28)13-5-4-8-24(10-13)17(26)12-6-7-14-15(9-12)20-11-23(2)18(14)27/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,22,28).
What are the key properties of 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one?
7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one has a molecular weight of 382.42 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 56702148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).