4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide

C23H23N3O — CID 109213564

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(N2CCCc3ccccc32)ccn1
InChIInChI=1S/C23H23N3O/c27-23(25-14-12-18-7-2-1-3-8-18)21-17-20(13-15-24-21)26-16-6-10-19-9-4-5-11-22(19)26/h1-5,7-9,11,13,15,17H,6,10,12,14,16H2,(H,25,27)
InChIKeyIEHSSFRRTGRQQG-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.14
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide

4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109213564) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109213564
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(N2CCCc3ccccc32)ccn1
InChIInChI=1S/C23H23N3O/c27-23(25-14-12-18-7-2-1-3-8-18)21-17-20(13-15-24-21)26-16-6-10-19-9-4-5-11-22(19)26/h1-5,7-9,11,13,15,17H,6,10,12,14,16H2,(H,25,27)
InChIKeyIEHSSFRRTGRQQG-UHFFFAOYSA-N
XLogP4.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Saruparib
CID 155586901
11-Hydroxy ascididemin
CID 393838
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
WO2017106634, Example 33
CID 129240409
Piberaline
CID 65975
5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one
CID 454441
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
CID 11430774
N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11633344

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109213564) is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cc(N2CCCc3ccccc32)ccn1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is IEHSSFRRTGRQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-23(25-14-12-18-7-2-1-3-8-18)21-17-20(13-15-24-21)26-16-6-10-19-9-4-5-11-22(19)26/h1-5,7-9,11,13,15,17H,6,10,12,14,16H2,(H,25,27).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide?
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).