4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline

C20H21ClFNO3 — CID 130354612

IUPAC4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline
SMILESC=C1Nc2cc(OC)c(OC)c(OC)c2C(c2cc(Cl)ccc2F)C1C
InChIInChI=1S/C20H21ClFNO3/c1-10-11(2)23-15-9-16(24-3)19(25-4)20(26-5)18(15)17(10)13-8-12(21)6-7-14(13)22/h6-10,17,23H,2H2,1,3-5H3
InChIKeyOOKWLNOJHWRJQZ-UHFFFAOYSA-N
MW377.84 g/mol
LogP5.21
Rot. Bonds4

About 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline

4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline (PubChem CID 130354612) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline
PubChem CID130354612
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline
SMILESC=C1Nc2cc(OC)c(OC)c(OC)c2C(c2cc(Cl)ccc2F)C1C
InChIInChI=1S/C20H21ClFNO3/c1-10-11(2)23-15-9-16(24-3)19(25-4)20(26-5)18(15)17(10)13-8-12(21)6-7-14(13)22/h6-10,17,23H,2H2,1,3-5H3
InChIKeyOOKWLNOJHWRJQZ-UHFFFAOYSA-N
XLogP5.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline with MolForge

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Related Compounds

4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-2-methylidene-3,4-dihydro-1H-quinazoline
CID 130354607
4-(4-chlorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 17285543
5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole
CID 163580754
4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-1-methyl-2-methylidene-3,4-dihydroquinoline
CID 130354614
1-(5-chloro-2-fluorophenyl)-2-[2-(dimethylamino)ethyl]-6,7,8-trimethoxy-1,4-dihydroisoquinolin-3-one
CID 146854970
4-(2-fluoro-6-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 130383098
(1S,9S)-4-chloro-9-methyl-10-(3,4,5-trimethoxyphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
CID 2054136
(2R,3R)-5-chloro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 95430074
2-(5-chloro-2-methoxyphenyl)-4-methylazetidine
CID 116821949
2-(5-chloro-2-methoxyphenyl)oxirane
CID 82075180
4-(4-chloro-5-methyl-1H-pyrazol-3-yl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 171385412
(3aS,4R,9bR)-4-(3-bromo-4,5-dimethoxyphenyl)-8-chloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 126191107

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline (CID 130354612) is 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline is C=C1Nc2cc(OC)c(OC)c(OC)c2C(c2cc(Cl)ccc2F)C1C.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline?
The InChIKey is OOKWLNOJHWRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-10-11(2)23-15-9-16(24-3)19(25-4)20(26-5)18(15)17(10)13-8-12(21)6-7-14(13)22/h6-10,17,23H,2H2,1,3-5H3.
What are the key properties of 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline?
4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline has a molecular weight of 377.84 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)-5,6,7-trimethoxy-3-methyl-2-methylidene-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 130354612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).