1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one

C18H21N5O — CID 166265938

IUPAC1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one
SMILESCN1CCC(c2cn(Cc3cc4ccccc4n(C)c3=O)nn2)C1
InChIInChI=1S/C18H21N5O/c1-21-8-7-14(10-21)16-12-23(20-19-16)11-15-9-13-5-3-4-6-17(13)22(2)18(15)24/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyCKQHXZNCYDQRQD-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.60
Rot. Bonds3

About 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one

1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one (PubChem CID 166265938) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one
PubChem CID166265938
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one
SMILESCN1CCC(c2cn(Cc3cc4ccccc4n(C)c3=O)nn2)C1
InChIInChI=1S/C18H21N5O/c1-21-8-7-14(10-21)16-12-23(20-19-16)11-15-9-13-5-3-4-6-17(13)22(2)18(15)24/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyCKQHXZNCYDQRQD-UHFFFAOYSA-N
XLogP1.60
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide
CID 650744
1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-2-methyl-4-(4-methylphenyl)piperazine
CID 24818888
1-benzyl-N-[(1-benzyltriazol-4-yl)methyl]triazole-4-carboxamide
CID 71661125
1-benzyl-N-phenyltriazole-4-carboxamide
CID 16063411
1-(4,6-Dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-2,2-dimethylpropan-1-one
CID 44825909
1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-(4-fluorophenyl)piperazine
CID 24791999
[1-[1-(2-Phenylpropyl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 45488294
1-[(1-Cyclopentyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one
CID 51361326
1-[(1-Phenyltriazol-4-yl)methyl]-2-propan-2-ylindazol-3-one
CID 51361331
1-(4-methylphenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]triazole-4-carboxamide
CID 162659709
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 162660202
1-benzyl-N-(2,5-dimethylphenyl)triazole-4-carboxamide
CID 18146602

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one (CID 166265938) is 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one is CN1CCC(c2cn(Cc3cc4ccccc4n(C)c3=O)nn2)C1.
What is the InChIKey of 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one?
The InChIKey is CKQHXZNCYDQRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-21-8-7-14(10-21)16-12-23(20-19-16)11-15-9-13-5-3-4-6-17(13)22(2)18(15)24/h3-6,9,12,14H,7-8,10-11H2,1-2H3.
What are the key properties of 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one?
1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one has a molecular weight of 323.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(1-methylpyrrolidin-3-yl)triazol-1-yl]methyl]quinolin-2-one is sourced from PubChem (CID 166265938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).