2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide

C22H23N3O — CID 162460261

IUPAC2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCC1CCCN1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H23N3O/c26-22(24-14-12-17-9-6-13-23-17)19-15-21(16-7-2-1-3-8-16)25-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,15,17,23H,6,9,12-14H2,(H,24,26)
InChIKeyXBLMVHSDBLKYNY-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.77
Rot. Bonds5

About 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide

2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide (PubChem CID 162460261) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
PubChem CID162460261
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCC1CCCN1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H23N3O/c26-22(24-14-12-17-9-6-13-23-17)19-15-21(16-7-2-1-3-8-16)25-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,15,17,23H,6,9,12-14H2,(H,24,26)
InChIKeyXBLMVHSDBLKYNY-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 130365852
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
N-(2-piperidin-3-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119557872
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
CID 31850076
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide (CID 162460261) is 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide is O=C(NCCC1CCCN1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide?
The InChIKey is XBLMVHSDBLKYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(24-14-12-17-9-6-13-23-17)19-15-21(16-7-2-1-3-8-16)25-20-11-5-4-10-18(19)20/h1-5,7-8,10-11,15,17,23H,6,9,12-14H2,(H,24,26).
What are the key properties of 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide?
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 162460261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).