N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide

C19H24N6O2 — CID 167826934

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ncn(C3CCCNC3)n2)c2ccccc21
InChIInChI=1S/C19H24N6O2/c1-13(26)24-10-8-16(15-6-2-3-7-17(15)24)22-19(27)18-21-12-25(23-18)14-5-4-9-20-11-14/h2-3,6-7,12,14,16,20H,4-5,8-11H2,1H3,(H,22,27)
InChIKeyKUKAJESTOCSFII-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.43
Rot. Bonds3

About N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide (PubChem CID 167826934) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide
PubChem CID167826934
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ncn(C3CCCNC3)n2)c2ccccc21
InChIInChI=1S/C19H24N6O2/c1-13(26)24-10-8-16(15-6-2-3-7-17(15)24)22-19(27)18-21-12-25(23-18)14-5-4-9-20-11-14/h2-3,6-7,12,14,16,20H,4-5,8-11H2,1H3,(H,22,27)
InChIKeyKUKAJESTOCSFII-UHFFFAOYSA-N
XLogP1.43
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2S)-2-phenylcyclopropyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488916
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129489919
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124
3-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-ethyl-1-methylurea
CID 166185788
(6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone
CID 129488937
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide
CID 138994378
1-[(3R)-piperidin-3-yl]-N-[(2R)-2-thiophen-3-ylpropyl]-1,2,4-triazole-3-carboxamide
CID 129488911
1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
CID 129489835
1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 129466028
1-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 114335777
1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea
CID 18337515
1-[4-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 155187459

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide (CID 167826934) is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide is CC(=O)N1CCC(NC(=O)c2ncn(C3CCCNC3)n2)c2ccccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is KUKAJESTOCSFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13(26)24-10-8-16(15-6-2-3-7-17(15)24)22-19(27)18-21-12-25(23-18)14-5-4-9-20-11-14/h2-3,6-7,12,14,16,20H,4-5,8-11H2,1H3,(H,22,27).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 167826934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).