(2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone

C20H18N2O — CID 757669

IUPAC(2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCCC1
InChIInChI=1S/C20H18N2O/c23-20(22-12-6-7-13-22)17-14-19(15-8-2-1-3-9-15)21-18-11-5-4-10-16(17)18/h1-5,8-11,14H,6-7,12-13H2
InChIKeyIQUUHWDMATWURW-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.14
Rot. Bonds2

About (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone

(2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 757669) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID757669
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name(2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCCC1
InChIInChI=1S/C20H18N2O/c23-20(22-12-6-7-13-22)17-14-19(15-8-2-1-3-9-15)21-18-11-5-4-10-16(17)18/h1-5,8-11,14H,6-7,12-13H2
InChIKeyIQUUHWDMATWURW-UHFFFAOYSA-N
XLogP4.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone (CID 757669) is (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCCC1.
What is the InChIKey of (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is IQUUHWDMATWURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20(22-12-6-7-13-22)17-14-19(15-8-2-1-3-9-15)21-18-11-5-4-10-16(17)18/h1-5,8-11,14H,6-7,12-13H2.
What are the key properties of (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone?
(2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 302.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylquinolin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 757669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).