4-chloro-6-ethoxy-3-methyl-2-phenylquinoline

C18H16ClNO — CID 104845970

IUPAC4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
SMILESCCOc1ccc2nc(-c3ccccc3)c(C)c(Cl)c2c1
InChIInChI=1S/C18H16ClNO/c1-3-21-14-9-10-16-15(11-14)17(19)12(2)18(20-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyGOTYXFYSJCOQEK-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.26
Rot. Bonds3

About 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline

4-chloro-6-ethoxy-3-methyl-2-phenylquinoline (PubChem CID 104845970) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline.

Molecular Properties

Compound Name4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
PubChem CID104845970
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
SMILESCCOc1ccc2nc(-c3ccccc3)c(C)c(Cl)c2c1
InChIInChI=1S/C18H16ClNO/c1-3-21-14-9-10-16-15(11-14)17(19)12(2)18(20-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKeyGOTYXFYSJCOQEK-UHFFFAOYSA-N
XLogP5.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-methyl-2-phenyl-6-propylquinoline
CID 104845968
6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate
CID 4653522
2,4-dichloro-6-ethoxy-3-nitroquinoline
CID 97181878
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
2-ethoxy-6-methyl-4-phenylquinazoline
CID 742337
N-(4-chlorophenyl)-2-(6-ethoxy-4-phenylquinazolin-2-yl)sulfanylacetamide
CID 23606567
2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
6-ethoxy-3-phenylquinolin-2-amine;hydrochloride
CID 43866041
6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
CID 135988746
6-ethoxy-N-ethyl-2,3-dimethylquinolin-4-amine
CID 62202534
N-[(2-chloro-7-ethoxyquinolin-3-yl)methylideneamino]-6-methyl-4-phenylquinazolin-2-amine
CID 2830444

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline?
The IUPAC name of 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline (CID 104845970) is 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline.
What is the SMILES notation for 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline?
The canonical SMILES for 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline is CCOc1ccc2nc(-c3ccccc3)c(C)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline?
The InChIKey is GOTYXFYSJCOQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-3-21-14-9-10-16-15(11-14)17(19)12(2)18(20-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline?
4-chloro-6-ethoxy-3-methyl-2-phenylquinoline has a molecular weight of 297.79 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-3-methyl-2-phenylquinoline is sourced from PubChem (CID 104845970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).