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

C18H20N2O — CID 43325644

IUPACN-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCCc1cccc(NC(=O)c2ccc3c(c2)CCCN3)c1
InChIInChI=1S/C18H20N2O/c1-2-13-5-3-7-16(11-13)20-18(21)15-8-9-17-14(12-15)6-4-10-19-17/h3,5,7-9,11-12,19H,2,4,6,10H2,1H3,(H,20,21)
InChIKeyAPKZVWLUWPEHPP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.86
Rot. Bonds3

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

N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 43325644) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID43325644
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCCc1cccc(NC(=O)c2ccc3c(c2)CCCN3)c1
InChIInChI=1S/C18H20N2O/c1-2-13-5-3-7-16(11-13)20-18(21)15-8-9-17-14(12-15)6-4-10-19-17/h3,5,7-9,11-12,19H,2,4,6,10H2,1H3,(H,20,21)
InChIKeyAPKZVWLUWPEHPP-UHFFFAOYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113224363
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
CID 69110343
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
N-(3-ethylphenyl)-1H-indole-5-carboxamide
CID 63717864
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325541
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 43325644) is N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is CCc1cccc(NC(=O)c2ccc3c(c2)CCCN3)c1.
What is the InChIKey of N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is APKZVWLUWPEHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-13-5-3-7-16(11-13)20-18(21)15-8-9-17-14(12-15)6-4-10-19-17/h3,5,7-9,11-12,19H,2,4,6,10H2,1H3,(H,20,21).
What are the key properties of N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 43325644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).