N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

C15H18N2O — CID 106901779

IUPACN-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC#CCCNC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C15H18N2O/c1-2-3-6-9-16-15(18)13-10-12-7-4-5-8-14(12)17-11-13/h4-5,7-8,13,17H,6,9-11H2,1H3,(H,16,18)
InChIKeyYZRVATQPIBKWRL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.80
Rot. Bonds3

About N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901779) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901779
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCC#CCCNC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C15H18N2O/c1-2-3-6-9-16-15(18)13-10-12-7-4-5-8-14(12)17-11-13/h4-5,7-8,13,17H,6,9-11H2,1H3,(H,16,18)
InChIKeyYZRVATQPIBKWRL-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 115519993
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901391
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901620
N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901469
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901428
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901728

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901779) is N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is CC#CCCNC(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is YZRVATQPIBKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-6-9-16-15(18)13-10-12-7-4-5-8-14(12)17-11-13/h4-5,7-8,13,17H,6,9-11H2,1H3,(H,16,18).
What are the key properties of N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).