N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide

C18H19ClN2O — CID 109035013

IUPACN-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESO=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-15-7-9-16(10-8-15)20-18(22)11-13-21-12-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10H,3,5,11-13H2,(H,20,22)
InChIKeyJTDCOWMSDVDUOO-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.12
Rot. Bonds4

About N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide

N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide (PubChem CID 109035013) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
PubChem CID109035013
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESO=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c19-15-7-9-16(10-8-15)20-18(22)11-13-21-12-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10H,3,5,11-13H2,(H,20,22)
InChIKeyJTDCOWMSDVDUOO-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide (CID 109035013) is N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide is O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide?
The InChIKey is JTDCOWMSDVDUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-15-7-9-16(10-8-15)20-18(22)11-13-21-12-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10H,3,5,11-13H2,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide?
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide has a molecular weight of 314.82 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)propanamide is sourced from PubChem (CID 109035013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).