8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline

C23H19FN2O — CID 90919322

IUPAC8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline
SMILESCOc1c(C)cc(-c2ccncc2F)c2ncc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C23H19FN2O/c1-14-4-6-16(7-5-14)17-11-20-22(26-12-17)19(10-15(2)23(20)27-3)18-8-9-25-13-21(18)24/h4-13H,1-3H3
InChIKeyVHDMTVPRPWQHBK-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.73
Rot. Bonds3

About 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline

8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline (PubChem CID 90919322) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline.

Molecular Properties

Compound Name8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline
PubChem CID90919322
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline
SMILESCOc1c(C)cc(-c2ccncc2F)c2ncc(-c3ccc(C)cc3)cc12
InChIInChI=1S/C23H19FN2O/c1-14-4-6-16(7-5-14)17-11-20-22(26-12-17)19(10-15(2)23(20)27-3)18-8-9-25-13-21(18)24/h4-13H,1-3H3
InChIKeyVHDMTVPRPWQHBK-UHFFFAOYSA-N
XLogP5.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline 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

SB 714786
CID 10287730
4-(7-Methoxyquinolin-4-yl)-2-methylphenol
CID 135567383
7-Benzyloxyquinoline
CID 3035604
5,7-Dimethoxy-3-(4-pyridinyl)quinoline
CID 3139
6,7-Dimethoxy-3-(4-methoxy-phenyl)-quinoline
CID 9882618
3-(3-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 9971060
3-(4-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 10039460
6,7-Dimethoxy-3-pyridin-4-yl-quinoline
CID 10061448
3-(3,4-Difluoro-phenyl)-6,7-dimethoxy-quinoline
CID 10402592
6,7-Dimethoxy-3-(3-pyridinyl)quinoline
CID 10445611
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
2-Methyl-5-(2-{4-[3-pyridin-4-ylbenzyl]piperidin-1-yl}ethoxy)quinoline
CID 10288132

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline?
The IUPAC name of 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline (CID 90919322) is 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline.
What is the SMILES notation for 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline?
The canonical SMILES for 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline is COc1c(C)cc(-c2ccncc2F)c2ncc(-c3ccc(C)cc3)cc12.
What is the InChIKey of 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline?
The InChIKey is VHDMTVPRPWQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-14-4-6-16(7-5-14)17-11-20-22(26-12-17)19(10-15(2)23(20)27-3)18-8-9-25-13-21(18)24/h4-13H,1-3H3.
What are the key properties of 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline?
8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline has a molecular weight of 358.42 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-pyridinyl)-5-methoxy-6-methyl-3-(4-methylphenyl)quinoline is sourced from PubChem (CID 90919322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).