2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C22H23N3O — CID 42749406

IUPAC2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H23N3O/c26-22(23-12-15-25-13-6-7-14-25)19-16-21(17-8-2-1-3-9-17)24-20-11-5-4-10-18(19)20/h1-5,8-11,16H,6-7,12-15H2,(H,23,26)
InChIKeyNFEKEESVONOLTQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.73
Rot. Bonds5

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

2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 42749406) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID42749406
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H23N3O/c26-22(23-12-15-25-13-6-7-14-25)19-16-21(17-8-2-1-3-9-17)24-20-11-5-4-10-18(19)20/h1-5,8-11,16H,6-7,12-15H2,(H,23,26)
InChIKeyNFEKEESVONOLTQ-UHFFFAOYSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 42749406) is 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is NFEKEESVONOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(23-12-15-25-13-6-7-14-25)19-16-21(17-8-2-1-3-9-17)24-20-11-5-4-10-18(19)20/h1-5,8-11,16H,6-7,12-15H2,(H,23,26).
What are the key properties of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 42749406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).