4-chloro-3-methyl-2-phenyl-8-propylquinoline

C19H18ClN — CID 104846017

IUPAC4-chloro-3-methyl-2-phenyl-8-propylquinoline
SMILESCCCc1cccc2c(Cl)c(C)c(-c3ccccc3)nc12
InChIInChI=1S/C19H18ClN/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3
InChIKeyDQJJTJDJYMPSNX-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.82
Rot. Bonds3

About 4-chloro-3-methyl-2-phenyl-8-propylquinoline

4-chloro-3-methyl-2-phenyl-8-propylquinoline (PubChem CID 104846017) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-phenyl-8-propylquinoline.

Molecular Properties

Compound Name4-chloro-3-methyl-2-phenyl-8-propylquinoline
PubChem CID104846017
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name4-chloro-3-methyl-2-phenyl-8-propylquinoline
SMILESCCCc1cccc2c(Cl)c(C)c(-c3ccccc3)nc12
InChIInChI=1S/C19H18ClN/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3
InChIKeyDQJJTJDJYMPSNX-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-3-methyl-2-phenyl-6-propylquinoline
CID 104845968
4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline
CID 104846013
8-benzyl-4-chloro-2-ethyl-3-methylquinoline
CID 63561857
4-chloro-2-ethyl-3-methyl-8-phenylquinoline
CID 63561680
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
3-methyl-8-(2-oxopropyl)-2-phenylquinoline-4-carboxylic acid
CID 174875628
4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
CID 104845970
N-ethyl-2,3-dimethyl-8-propylquinolin-4-amine
CID 63482024
4-phenyl-5-propylphthalazin-1-amine
CID 57376011
methyl 4-chloro-8-propylquinoline-2-carboxylate
CID 55183253
methanamine;1-propylnaphthalene
CID 174438724
2-chloro-8-phenyl-3-propylquinoline
CID 63531212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-phenyl-8-propylquinoline?
The IUPAC name of 4-chloro-3-methyl-2-phenyl-8-propylquinoline (CID 104846017) is 4-chloro-3-methyl-2-phenyl-8-propylquinoline.
What is the SMILES notation for 4-chloro-3-methyl-2-phenyl-8-propylquinoline?
The canonical SMILES for 4-chloro-3-methyl-2-phenyl-8-propylquinoline is CCCc1cccc2c(Cl)c(C)c(-c3ccccc3)nc12.
What is the InChIKey of 4-chloro-3-methyl-2-phenyl-8-propylquinoline?
The InChIKey is DQJJTJDJYMPSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h4-7,9-12H,3,8H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-2-phenyl-8-propylquinoline?
4-chloro-3-methyl-2-phenyl-8-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-8-propylquinoline is sourced from PubChem (CID 104846017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).