4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline

C17H13ClFNO2 — CID 169256614

IUPAC4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline
SMILESCOc1cc(F)c2c(Cl)cc(OCc3ccccc3)nc2c1
InChIInChI=1S/C17H13ClFNO2/c1-21-12-7-14(19)17-13(18)9-16(20-15(17)8-12)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyOHZOLDGRTHZWSR-UHFFFAOYSA-N
MW317.75 g/mol
LogP4.61
Rot. Bonds4

About 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline

4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline (PubChem CID 169256614) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline
PubChem CID169256614
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline
SMILESCOc1cc(F)c2c(Cl)cc(OCc3ccccc3)nc2c1
InChIInChI=1S/C17H13ClFNO2/c1-21-12-7-14(19)17-13(18)9-16(20-15(17)8-12)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyOHZOLDGRTHZWSR-UHFFFAOYSA-N
XLogP4.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-5-fluoro-7-methoxyquinoline
CID 169256854
2-bromo-4-methoxy-6-phenylmethoxypyridine
CID 21471070
2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine
CID 167980981
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4-(chloromethyl)-2-phenylmethoxyquinoline
CID 61257867
4-chloro-5,7-dimethoxy-2-phenylquinoline
CID 43668662
7-fluoro-2-methoxy-8-phenylmethoxyquinoline
CID 68632467
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline
CID 65126344
methyl 4-chloro-8-fluoro-6-phenylmethoxyquinoline-2-carboxylate
CID 138584470
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
4,6-dimethoxy-2-phenylmethoxypyrimidine
CID 19977712
2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline
CID 170368161

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline?
The IUPAC name of 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline (CID 169256614) is 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline.
What is the SMILES notation for 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline?
The canonical SMILES for 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline is COc1cc(F)c2c(Cl)cc(OCc3ccccc3)nc2c1.
What is the InChIKey of 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline?
The InChIKey is OHZOLDGRTHZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-21-12-7-14(19)17-13(18)9-16(20-15(17)8-12)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline?
4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline has a molecular weight of 317.75 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline is sourced from PubChem (CID 169256614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).