N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide

C27H26N4O — CID 24619664

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C27H26N4O/c32-27(29-19-26(31-16-8-9-17-31)20-10-2-1-3-11-20)22-18-25(24-14-6-7-15-28-24)30-23-13-5-4-12-21(22)23/h1-7,10-15,18,26H,8-9,16-17,19H2,(H,29,32)
InChIKeyOYENTDDOSGQXPG-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.86
Rot. Bonds6

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 24619664) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID24619664
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C27H26N4O/c32-27(29-19-26(31-16-8-9-17-31)20-10-2-1-3-11-20)22-18-25(24-14-6-7-15-28-24)30-23-13-5-4-12-21(22)23/h1-7,10-15,18,26H,8-9,16-17,19H2,(H,29,32)
InChIKeyOYENTDDOSGQXPG-UHFFFAOYSA-N
XLogP4.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 5136979
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025285
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025289
2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 35671864
2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide
CID 2381674
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 112821597
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide
CID 134014842

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 24619664) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is OYENTDDOSGQXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-27(29-19-26(31-16-8-9-17-31)20-10-2-1-3-11-20)22-18-25(24-14-6-7-15-28-24)30-23-13-5-4-12-21(22)23/h1-7,10-15,18,26H,8-9,16-17,19H2,(H,29,32).
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 24619664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).