N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C19H22N2O — CID 108990483

IUPACN-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O/c22-19(20-14-6-10-16-8-2-1-3-9-16)21-15-7-12-17-11-4-5-13-18(17)21/h1-5,8-9,11,13H,6-7,10,12,14-15H2,(H,20,22)
InChIKeyLWYIYEZHNXUNSI-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.78
Rot. Bonds4

About N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 108990483) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID108990483
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O/c22-19(20-14-6-10-16-8-2-1-3-9-16)21-15-7-12-17-11-4-5-13-18(17)21/h1-5,8-9,11,13H,6-7,10,12,14-15H2,(H,20,22)
InChIKeyLWYIYEZHNXUNSI-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 60550929
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089033
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
CID 107840294
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113217131
3,4-dihydro-2H-quinolin-1-yl-[5-(3-phenylpropylamino)-3-pyridinyl]methanone
CID 109239100
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113213261

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 108990483) is N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NCCCc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is LWYIYEZHNXUNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(20-14-6-10-16-8-2-1-3-9-16)21-15-7-12-17-11-4-5-13-18(17)21/h1-5,8-9,11,13H,6-7,10,12,14-15H2,(H,20,22).
What are the key properties of N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 108990483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).