4-chloro-3-methyl-2-phenyl-6-propylquinoline

C19H18ClN — CID 104845968

IUPAC4-chloro-3-methyl-2-phenyl-6-propylquinoline
SMILESCCCc1ccc2nc(-c3ccccc3)c(C)c(Cl)c2c1
InChIInChI=1S/C19H18ClN/c1-3-7-14-10-11-17-16(12-14)18(20)13(2)19(21-17)15-8-5-4-6-9-15/h4-6,8-12H,3,7H2,1-2H3
InChIKeyQDGHVTBBURFFJF-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.82
Rot. Bonds3

About 4-chloro-3-methyl-2-phenyl-6-propylquinoline

4-chloro-3-methyl-2-phenyl-6-propylquinoline (PubChem CID 104845968) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-phenyl-6-propylquinoline.

Molecular Properties

Compound Name4-chloro-3-methyl-2-phenyl-6-propylquinoline
PubChem CID104845968
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name4-chloro-3-methyl-2-phenyl-6-propylquinoline
SMILESCCCc1ccc2nc(-c3ccccc3)c(C)c(Cl)c2c1
InChIInChI=1S/C19H18ClN/c1-3-7-14-10-11-17-16(12-14)18(20)13(2)19(21-17)15-8-5-4-6-9-15/h4-6,8-12H,3,7H2,1-2H3
InChIKeyQDGHVTBBURFFJF-UHFFFAOYSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
CID 104845970
4-chloro-3-methyl-2-phenyl-8-propylquinoline
CID 104846017
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
4-chloro-2,6-dipropylquinoline
CID 43668449
N-methyl-2-phenyl-6-propylquinolin-4-amine
CID 63481049
9-chloro-7-propyl-1,2,3,4-tetrahydroacridine
CID 55188071
4-chloro-2-(2-chlorophenyl)-6-propylquinazoline
CID 114590720
N-ethyl-3,6-dimethyl-2-phenylquinolin-4-amine
CID 104846971
4-chloro-2-(4-chlorophenyl)-6-propylquinazoline
CID 114590719
6-butyl-2-methyl-3,4-diphenylquinoline
CID 134847641
4-chloro-2-cyclopropyl-6-propylquinoline
CID 63408646
2,6-diphenyl-4-propylpyridine
CID 164669086

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-phenyl-6-propylquinoline?
The IUPAC name of 4-chloro-3-methyl-2-phenyl-6-propylquinoline (CID 104845968) is 4-chloro-3-methyl-2-phenyl-6-propylquinoline.
What is the SMILES notation for 4-chloro-3-methyl-2-phenyl-6-propylquinoline?
The canonical SMILES for 4-chloro-3-methyl-2-phenyl-6-propylquinoline is CCCc1ccc2nc(-c3ccccc3)c(C)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-methyl-2-phenyl-6-propylquinoline?
The InChIKey is QDGHVTBBURFFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-3-7-14-10-11-17-16(12-14)18(20)13(2)19(21-17)15-8-5-4-6-9-15/h4-6,8-12H,3,7H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-2-phenyl-6-propylquinoline?
4-chloro-3-methyl-2-phenyl-6-propylquinoline has a molecular weight of 295.81 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-phenyl-6-propylquinoline is sourced from PubChem (CID 104845968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).