N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide

C24H27N3O — CID 86874699

IUPACN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide
SMILESCCN(C(=O)c1ccc2ncccc2c1)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C24H27N3O/c1-3-27(24(28)21-11-12-23-20(16-21)10-7-14-25-23)22-13-15-26(17-22)18(2)19-8-5-4-6-9-19/h4-12,14,16,18,22H,3,13,15,17H2,1-2H3
InChIKeyWOHCQVKNSHDZMU-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.53
Rot. Bonds5

About N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide

N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide (PubChem CID 86874699) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide
PubChem CID86874699
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide
SMILESCCN(C(=O)c1ccc2ncccc2c1)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C24H27N3O/c1-3-27(24(28)21-11-12-23-20(16-21)10-7-14-25-23)22-13-15-26(17-22)18(2)19-8-5-4-6-9-19/h4-12,14,16,18,22H,3,13,15,17H2,1-2H3
InChIKeyWOHCQVKNSHDZMU-UHFFFAOYSA-N
XLogP4.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide (CID 86874699) is N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide is CCN(C(=O)c1ccc2ncccc2c1)C1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide?
The InChIKey is WOHCQVKNSHDZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-27(24(28)21-11-12-23-20(16-21)10-7-14-25-23)22-13-15-26(17-22)18(2)19-8-5-4-6-9-19/h4-12,14,16,18,22H,3,13,15,17H2,1-2H3.
What are the key properties of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide?
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 86874699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).