3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline

C11H14FNO — CID 84720514

IUPAC3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
SMILESCOc1ccc2c(c1)NCC(C)(F)C2
InChIInChI=1S/C11H14FNO/c1-11(12)6-8-3-4-9(14-2)5-10(8)13-7-11/h3-5,13H,6-7H2,1-2H3
InChIKeyDVRCDNZTMKGBQI-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.39
Rot. Bonds1

About 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline

3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline (PubChem CID 84720514) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
PubChem CID84720514
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
SMILESCOc1ccc2c(c1)NCC(C)(F)C2
InChIInChI=1S/C11H14FNO/c1-11(12)6-8-3-4-9(14-2)5-10(8)13-7-11/h3-5,13H,6-7H2,1-2H3
InChIKeyDVRCDNZTMKGBQI-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 106701810
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
7-methoxy-3,4-dihydro-1H-quinazoline-2-thione
CID 84773181
7-methoxy-2,2-dimethyl-3,4-dihydro-1λ6,4-benzothiazine 1,1-dioxide
CID 84630049
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole
CID 169244448
3,3-diethyl-7-methoxy-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308841
7-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
CID 82278075
1,1,2,2,3,3,4,4-octafluoro-6-methoxynaphthalene
CID 165383709
3-fluoro-3-(2-fluoro-4-methoxyphenyl)azetidine
CID 103397020
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
5,7-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-quinoline
CID 84623903

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline?
The IUPAC name of 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline (CID 84720514) is 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline.
What is the SMILES notation for 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline?
The canonical SMILES for 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline is COc1ccc2c(c1)NCC(C)(F)C2.
What is the InChIKey of 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline?
The InChIKey is DVRCDNZTMKGBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(12)6-8-3-4-9(14-2)5-10(8)13-7-11/h3-5,13H,6-7H2,1-2H3.
What are the key properties of 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline?
3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline has a molecular weight of 195.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 84720514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).