4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline

C16H10ClF2N — CID 104846013

IUPAC4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline
SMILESCc1c(-c2ccccc2)nc2c(F)c(F)ccc2c1Cl
InChIInChI=1S/C16H10ClF2N/c1-9-13(17)11-7-8-12(18)14(19)16(11)20-15(9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyIVQKXYRDVUKQTB-UHFFFAOYSA-N
MW289.71 g/mol
LogP5.14
Rot. Bonds1

About 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline

4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline (PubChem CID 104846013) has the molecular formula C16H10ClF2N and a molecular weight of 289.71 g/mol. Its IUPAC name is 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline.

Molecular Properties

Compound Name4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline
PubChem CID104846013
Molecular FormulaC16H10ClF2N
Molecular Weight289.71 g/mol
Exact Mass289.05
IUPAC Name4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline
SMILESCc1c(-c2ccccc2)nc2c(F)c(F)ccc2c1Cl
InChIInChI=1S/C16H10ClF2N/c1-9-13(17)11-7-8-12(18)14(19)16(11)20-15(9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyIVQKXYRDVUKQTB-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.71
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-methyl-2-phenyl-8-propylquinoline
CID 104846017
4-chloro-7,8-difluoro-3-iodo-2-methylquinoline
CID 121236852
5-fluoro-3,8-dimethyl-2-phenylquinolin-4-amine
CID 104847016
6-chloro-4-(2-fluorophenyl)-3-methyl-2-phenylquinoline
CID 8966968
8-fluoro-N,3,6-trimethyl-2-phenylquinolin-4-amine
CID 104847019
4-chloro-3-methyl-2-phenyl-6-propylquinoline
CID 104845968
8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 45157374
2-chloro-5-fluoro-6-phenylpyrimidin-4-amine
CID 129216031
8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
CID 11243342
4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
CID 104845970
3,5-dichloro-4-methyl-6-phenylpyridazine
CID 86117027
4-chloro-8-fluoro-2,3-dimethylquinoline
CID 60994965

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline?
The IUPAC name of 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline (CID 104846013) is 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline.
What is the SMILES notation for 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline?
The canonical SMILES for 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline is Cc1c(-c2ccccc2)nc2c(F)c(F)ccc2c1Cl.
What is the InChIKey of 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline?
The InChIKey is IVQKXYRDVUKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N/c1-9-13(17)11-7-8-12(18)14(19)16(11)20-15(9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline?
4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline has a molecular weight of 289.71 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline is sourced from PubChem (CID 104846013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).