3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one

C18H17ClN2O — CID 134229573

IUPAC3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one
SMILESCC(N)c1c(-c2ccccc2)n(C)c2c(Cl)cccc2c1=O
InChIInChI=1S/C18H17ClN2O/c1-11(20)15-16(12-7-4-3-5-8-12)21(2)17-13(18(15)22)9-6-10-14(17)19/h3-11H,20H2,1-2H3
InChIKeyJMONVRQUYOJZNY-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.88
Rot. Bonds2

About 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one

3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one (PubChem CID 134229573) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one
PubChem CID134229573
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one
SMILESCC(N)c1c(-c2ccccc2)n(C)c2c(Cl)cccc2c1=O
InChIInChI=1S/C18H17ClN2O/c1-11(20)15-16(12-7-4-3-5-8-12)21(2)17-13(18(15)22)9-6-10-14(17)19/h3-11H,20H2,1-2H3
InChIKeyJMONVRQUYOJZNY-UHFFFAOYSA-N
XLogP3.88
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one?
The IUPAC name of 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one (CID 134229573) is 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one.
What is the SMILES notation for 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one?
The canonical SMILES for 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one is CC(N)c1c(-c2ccccc2)n(C)c2c(Cl)cccc2c1=O.
What is the InChIKey of 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one?
The InChIKey is JMONVRQUYOJZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-11(20)15-16(12-7-4-3-5-8-12)21(2)17-13(18(15)22)9-6-10-14(17)19/h3-11H,20H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one?
3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one has a molecular weight of 312.80 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-8-chloro-1-methyl-2-phenylquinolin-4-one is sourced from PubChem (CID 134229573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).