6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one

C21H22N2O — CID 730813

IUPAC6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3ccccc3)c(CN3CCCC3)c(=O)c2c1
InChIInChI=1S/C21H22N2O/c1-15-9-10-19-17(13-15)21(24)18(14-23-11-5-6-12-23)20(22-19)16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24)
InChIKeyCCYTVURPPVMWHN-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.10
Rot. Bonds3

About 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one

6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one (PubChem CID 730813) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one
PubChem CID730813
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(-c3ccccc3)c(CN3CCCC3)c(=O)c2c1
InChIInChI=1S/C21H22N2O/c1-15-9-10-19-17(13-15)21(24)18(14-23-11-5-6-12-23)20(22-19)16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24)
InChIKeyCCYTVURPPVMWHN-UHFFFAOYSA-N
XLogP4.10
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one (CID 730813) is 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one is Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCCC3)c(=O)c2c1.
What is the InChIKey of 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one?
The InChIKey is CCYTVURPPVMWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-9-10-19-17(13-15)21(24)18(14-23-11-5-6-12-23)20(22-19)16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,22,24).
What are the key properties of 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one?
6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one has a molecular weight of 318.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3-(pyrrolidin-1-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 730813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).