N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide

C14H17N5O — CID 47381708

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCN1CCCc2ccccc21)c1cn[nH]n1
InChIInChI=1S/C14H17N5O/c20-14(12-10-16-18-17-12)15-7-9-19-8-3-5-11-4-1-2-6-13(11)19/h1-2,4,6,10H,3,5,7-9H2,(H,15,20)(H,16,17,18)
InChIKeyXQUHOACQDPCOBC-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.99
Rot. Bonds4

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 47381708) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
PubChem CID47381708
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCN1CCCc2ccccc21)c1cn[nH]n1
InChIInChI=1S/C14H17N5O/c20-14(12-10-16-18-17-12)15-7-9-19-8-3-5-11-4-1-2-6-13(11)19/h1-2,4,6,10H,3,5,7-9H2,(H,15,20)(H,16,17,18)
InChIKeyXQUHOACQDPCOBC-UHFFFAOYSA-N
XLogP0.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732753
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155939061
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171926873
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-methylsulfonylbenzamide
CID 51123507
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 23607928
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46963658
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131946106
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56869134
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 46963655
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344730

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide (CID 47381708) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide is O=C(NCCN1CCCc2ccccc21)c1cn[nH]n1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is XQUHOACQDPCOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(12-10-16-18-17-12)15-7-9-19-8-3-5-11-4-1-2-6-13(11)19/h1-2,4,6,10H,3,5,7-9H2,(H,15,20)(H,16,17,18).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47381708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).