4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline

C23H14ClF4NO — CID 170432061

IUPAC4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4ccc(F)c(F)c4F)cc3)c(Cl)c2cc1F
InChIInChI=1S/C23H14ClF4NO/c1-11-20(21(24)15-9-17(26)19(30-2)10-18(15)29-11)13-5-3-12(4-6-13)14-7-8-16(25)23(28)22(14)27/h3-10H,1-2H3
InChIKeyZOXGPAQBSRXNOX-UHFFFAOYSA-N
MW431.82 g/mol
LogP7.10
Rot. Bonds3

About 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline

4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline (PubChem CID 170432061) has the molecular formula C23H14ClF4NO and a molecular weight of 431.82 g/mol. Its IUPAC name is 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline
PubChem CID170432061
Molecular FormulaC23H14ClF4NO
Molecular Weight431.82 g/mol
Exact Mass431.07
IUPAC Name4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline
SMILESCOc1cc2nc(C)c(-c3ccc(-c4ccc(F)c(F)c4F)cc3)c(Cl)c2cc1F
InChIInChI=1S/C23H14ClF4NO/c1-11-20(21(24)15-9-17(26)19(30-2)10-18(15)29-11)13-5-3-12(4-6-13)14-7-8-16(25)23(28)22(14)27/h3-10H,1-2H3
InChIKeyZOXGPAQBSRXNOX-UHFFFAOYSA-N
XLogP7.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.82
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
CID 170432171
4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline
CID 170432391
4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline
CID 170432136
4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline
CID 170432212
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 70192478
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
9-chloro-2,3-dimethoxy-7-methylacridine
CID 19749412
7-fluoro-6-methoxy-2-methyl-3-propan-2-ylquinolin-4-amine
CID 113363415
3,5,6-trifluoro-2-methylquinoline
CID 22158739
5-(4-chloro-6-fluoro-7-methoxyquinolin-2-yl)pyridin-2-amine
CID 177173158

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline?
The IUPAC name of 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline (CID 170432061) is 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline.
What is the SMILES notation for 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline?
The canonical SMILES for 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline is COc1cc2nc(C)c(-c3ccc(-c4ccc(F)c(F)c4F)cc3)c(Cl)c2cc1F.
What is the InChIKey of 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline?
The InChIKey is ZOXGPAQBSRXNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF4NO/c1-11-20(21(24)15-9-17(26)19(30-2)10-18(15)29-11)13-5-3-12(4-6-13)14-7-8-16(25)23(28)22(14)27/h3-10H,1-2H3.
What are the key properties of 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline?
4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline has a molecular weight of 431.82 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-7-methoxy-2-methyl-3-[4-(2,3,4-trifluorophenyl)phenyl]quinoline is sourced from PubChem (CID 170432061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).