N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide

C15H22N2O — CID 24705995

IUPACN-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCCC(CC)NC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C15H22N2O/c1-3-12(4-2)16-15(18)14-10-9-11-7-5-6-8-13(11)17-14/h5-8,12,14,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyPNFMMISABKRVCV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.72
Rot. Bonds4

About N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 24705995) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID24705995
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCCC(CC)NC(=O)C1CCc2ccccc2N1
InChIInChI=1S/C15H22N2O/c1-3-12(4-2)16-15(18)14-10-9-11-7-5-6-8-13(11)17-14/h5-8,12,14,17H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyPNFMMISABKRVCV-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 63926506
N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113477452
N-(2-propan-2-yloxyethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 104761979
N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 61468172
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 106025761
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 62641372
N-(2-ethyl-6-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24691130
(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 103495813
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24702827

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 24705995) is N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide is CCC(CC)NC(=O)C1CCc2ccccc2N1.
What is the InChIKey of N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is PNFMMISABKRVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12(4-2)16-15(18)14-10-9-11-7-5-6-8-13(11)17-14/h5-8,12,14,17H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 24705995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).