1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one

C29H28N2O — CID 167561104

IUPAC1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one
SMILESCN1CCC(CC(=O)Cc2ccc3nc(-c4ccccc4)c(-c4ccccc4)cc3c2)C1
InChIInChI=1S/C29H28N2O/c1-31-15-14-22(20-31)18-26(32)17-21-12-13-28-25(16-21)19-27(23-8-4-2-5-9-23)29(30-28)24-10-6-3-7-11-24/h2-13,16,19,22H,14-15,17-18,20H2,1H3
InChIKeyDRANAMNZVYIHFI-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.02
Rot. Bonds6

About 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one

1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one (PubChem CID 167561104) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one
PubChem CID167561104
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one
SMILESCN1CCC(CC(=O)Cc2ccc3nc(-c4ccccc4)c(-c4ccccc4)cc3c2)C1
InChIInChI=1S/C29H28N2O/c1-31-15-14-22(20-31)18-26(32)17-21-12-13-28-25(16-21)19-27(23-8-4-2-5-9-23)29(30-28)24-10-6-3-7-11-24/h2-13,16,19,22H,14-15,17-18,20H2,1H3
InChIKeyDRANAMNZVYIHFI-UHFFFAOYSA-N
XLogP6.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one?
The IUPAC name of 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one (CID 167561104) is 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one.
What is the SMILES notation for 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one?
The canonical SMILES for 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one is CN1CCC(CC(=O)Cc2ccc3nc(-c4ccccc4)c(-c4ccccc4)cc3c2)C1.
What is the InChIKey of 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one?
The InChIKey is DRANAMNZVYIHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O/c1-31-15-14-22(20-31)18-26(32)17-21-12-13-28-25(16-21)19-27(23-8-4-2-5-9-23)29(30-28)24-10-6-3-7-11-24/h2-13,16,19,22H,14-15,17-18,20H2,1H3.
What are the key properties of 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one?
1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one has a molecular weight of 420.56 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one is sourced from PubChem (CID 167561104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).