6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide

C19H15ClN6O — CID 47036764

IUPAC6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C19H15ClN6O/c1-12-16(8-14-7-15(20)4-5-17(14)25-12)19(27)23-9-13-3-2-6-22-18(13)26-11-21-10-24-26/h2-8,10-11H,9H2,1H3,(H,23,27)
InChIKeyQDZNIKCPVNVAFM-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.10
Rot. Bonds4

About 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide

6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide (PubChem CID 47036764) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
PubChem CID47036764
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C19H15ClN6O/c1-12-16(8-14-7-15(20)4-5-17(14)25-12)19(27)23-9-13-3-2-6-22-18(13)26-11-21-10-24-26/h2-8,10-11H,9H2,1H3,(H,23,27)
InChIKeyQDZNIKCPVNVAFM-UHFFFAOYSA-N
XLogP3.10
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-2,3-dimethyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoxaline-5-carboxamide
CID 47057006
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 78878591
1-[(3-chlorophenyl)methyl]-1-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55799784
5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 47036749
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55840655
7-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 47036833
3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 47036805
6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55720282

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide?
The IUPAC name of 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide (CID 47036764) is 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide?
The InChIKey is QDZNIKCPVNVAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c1-12-16(8-14-7-15(20)4-5-17(14)25-12)19(27)23-9-13-3-2-6-22-18(13)26-11-21-10-24-26/h2-8,10-11H,9H2,1H3,(H,23,27).
What are the key properties of 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide?
6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide is sourced from PubChem (CID 47036764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).