N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide

C17H26N2O — CID 62849365

IUPACN-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCCCCC(C)NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C17H26N2O/c1-3-4-5-8-13(2)19-17(20)15-9-6-11-16-14(15)10-7-12-18-16/h6,9,11,13,18H,3-5,7-8,10,12H2,1-2H3,(H,19,20)
InChIKeyXEBMLNQJLWRQIH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.74
Rot. Bonds6

About N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62849365) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62849365
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCCCCC(C)NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C17H26N2O/c1-3-4-5-8-13(2)19-17(20)15-9-6-11-16-14(15)10-7-12-18-16/h6,9,11,13,18H,3-5,7-8,10,12H2,1-2H3,(H,19,20)
InChIKeyXEBMLNQJLWRQIH-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid
CID 103869747
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
1-(1,2,3,4-tetrahydroquinolin-5-yl)hexan-1-one
CID 116610457
N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 167914289
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55126978
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62849365) is N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide is CCCCCC(C)NC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is XEBMLNQJLWRQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-4-5-8-13(2)19-17(20)15-9-6-11-16-14(15)10-7-12-18-16/h6,9,11,13,18H,3-5,7-8,10,12H2,1-2H3,(H,19,20).
What are the key properties of N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62849365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).