N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C18H28N2O — CID 61252678

IUPACN-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C18H28N2O/c1-13(2)6-4-7-14(3)20-18(21)16-9-10-17-15(12-16)8-5-11-19-17/h9-10,12-14,19H,4-8,11H2,1-3H3,(H,20,21)
InChIKeyDXLDHVQEKQXEJW-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.99
Rot. Bonds6

About N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 61252678) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID61252678
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C18H28N2O/c1-13(2)6-4-7-14(3)20-18(21)16-9-10-17-15(12-16)8-5-11-19-17/h9-10,12-14,19H,4-8,11H2,1-3H3,(H,20,21)
InChIKeyDXLDHVQEKQXEJW-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106161445
2-(propan-2-ylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257733
N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106212712
N-(4-propan-2-yloxybutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106011165
N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938314

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 61252678) is N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is CC(C)CCCC(C)NC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is DXLDHVQEKQXEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)6-4-7-14(3)20-18(21)16-9-10-17-15(12-16)8-5-11-19-17/h9-10,12-14,19H,4-8,11H2,1-3H3,(H,20,21).
What are the key properties of N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 61252678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).