N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide

C23H23N7O — CID 129103576

IUPACN-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NC4CCCc5nc(N)ccc54)nn3)ccc2n1
InChIInChI=1S/C23H23N7O/c1-14-5-7-16-11-15(6-9-18(16)25-14)12-30-13-21(28-29-30)23(31)27-20-4-2-3-19-17(20)8-10-22(24)26-19/h5-11,13,20H,2-4,12H2,1H3,(H2,24,26)(H,27,31)
InChIKeyBFOWXSOUPPGYKF-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.97
Rot. Bonds4

About N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide

N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide (PubChem CID 129103576) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
PubChem CID129103576
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide
SMILESCc1ccc2cc(Cn3cc(C(=O)NC4CCCc5nc(N)ccc54)nn3)ccc2n1
InChIInChI=1S/C23H23N7O/c1-14-5-7-16-11-15(6-9-18(16)25-14)12-30-13-21(28-29-30)23(31)27-20-4-2-3-19-17(20)8-10-22(24)26-19/h5-11,13,20H,2-4,12H2,1H3,(H2,24,26)(H,27,31)
InChIKeyBFOWXSOUPPGYKF-UHFFFAOYSA-N
XLogP2.97
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-pyrazinecarboxamide
CID 5309256
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 53465989
1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375552
5-methyl-1-(2-methylphenyl)-N-[6-(thiomorpholin-4-ylmethyl)quinolin-2-yl]triazole-4-carboxamide
CID 137522549
1-amino-N-(quinolin-8-ylmethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168290623
[(2R,5R)-5-(isoquinolin-1-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46213339
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-((7-methylquinolin-3-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 58081222
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2,3-trimethylindol-5-yl)methyl]triazole-4-carboxamide
CID 58081259
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(8-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide
CID 71541910
1-methyl-4-(pyridin-4-ylmethylamino)-N-(quinolin-3-yl)-1H-imidazole-5-carboxamide
CID 44439369
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)pyrazine-2-carboxamide
CID 44570155
3-amino-6-(1H-indazol-7-yl)-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
CID 70685429

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide (CID 129103576) is N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide is Cc1ccc2cc(Cn3cc(C(=O)NC4CCCc5nc(N)ccc54)nn3)ccc2n1.
What is the InChIKey of N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
The InChIKey is BFOWXSOUPPGYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-14-5-7-16-11-15(6-9-18(16)25-14)12-30-13-21(28-29-30)23(31)27-20-4-2-3-19-17(20)8-10-22(24)26-19/h5-11,13,20H,2-4,12H2,1H3,(H2,24,26)(H,27,31).
What are the key properties of N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide?
N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)-1-[(2-methylquinolin-6-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 129103576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).