5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide

C20H24N6O — CID 95179929

IUPAC5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H](C)N2CCCC2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C20H24N6O/c1-14(25-11-3-4-12-25)13-22-20(27)18-15(2)26(24-23-18)17-9-5-7-16-8-6-10-21-19(16)17/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,27)/t14-/m0/s1
InChIKeyZLQKYOIVRSCSFG-AWEZNQCLSA-N
MW364.45 g/mol
LogP2.34
Rot. Bonds5

About 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide

5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide (PubChem CID 95179929) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
PubChem CID95179929
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC[C@H](C)N2CCCC2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C20H24N6O/c1-14(25-11-3-4-12-25)13-22-20(27)18-15(2)26(24-23-18)17-9-5-7-16-8-6-10-21-19(16)17/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,27)/t14-/m0/s1
InChIKeyZLQKYOIVRSCSFG-AWEZNQCLSA-N
XLogP2.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide with MolForge

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Related Compounds

1-[[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544143
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
CID 120518470
2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120521955
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
CID 120516941
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride
CID 119666236
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide (CID 95179929) is 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide is Cc1c(C(=O)NC[C@H](C)N2CCCC2)nnn1-c1cccc2cccnc12.
What is the InChIKey of 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide?
The InChIKey is ZLQKYOIVRSCSFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14(25-11-3-4-12-25)13-22-20(27)18-15(2)26(24-23-18)17-9-5-7-16-8-6-10-21-19(16)17/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,27)/t14-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide?
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide is sourced from PubChem (CID 95179929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).