3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one

C16H17N5O2 — CID 167829032

IUPAC3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CNc3nncn3C3CC3)c(=O)[nH]c2c1
InChIInChI=1S/C16H17N5O2/c1-23-13-5-2-10-6-11(15(22)19-14(10)7-13)8-17-16-20-18-9-21(16)12-3-4-12/h2,5-7,9,12H,3-4,8H2,1H3,(H,17,20)(H,19,22)
InChIKeyVVPOKBKQWCZQNU-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.08
Rot. Bonds5

About 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one

3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 167829032) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID167829032
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CNc3nncn3C3CC3)c(=O)[nH]c2c1
InChIInChI=1S/C16H17N5O2/c1-23-13-5-2-10-6-11(15(22)19-14(10)7-13)8-17-16-20-18-9-21(16)12-3-4-12/h2,5-7,9,12H,3-4,8H2,1H3,(H,17,20)(H,19,22)
InChIKeyVVPOKBKQWCZQNU-UHFFFAOYSA-N
XLogP2.08
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

7-methoxy-3-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 864655
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
CID 110324806
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324808
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039
1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110324844
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 56719260

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one (CID 167829032) is 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CNc3nncn3C3CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is VVPOKBKQWCZQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-13-5-2-10-6-11(15(22)19-14(10)7-13)8-17-16-20-18-9-21(16)12-3-4-12/h2,5-7,9,12H,3-4,8H2,1H3,(H,17,20)(H,19,22).
What are the key properties of 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 311.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-cyclopropyl-1,2,4-triazol-3-yl)amino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 167829032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).