6-fluoro-4-(2-methyloxiran-2-yl)quinoline

C12H10FNO — CID 166637341

IUPAC6-fluoro-4-(2-methyloxiran-2-yl)quinoline
SMILESCC1(c2ccnc3ccc(F)cc23)CO1
InChIInChI=1S/C12H10FNO/c1-12(7-15-12)10-4-5-14-11-3-2-8(13)6-9(10)11/h2-6H,7H2,1H3
InChIKeyCQDDCBPEZKAECY-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.62
Rot. Bonds1

About 6-fluoro-4-(2-methyloxiran-2-yl)quinoline

6-fluoro-4-(2-methyloxiran-2-yl)quinoline (PubChem CID 166637341) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 6-fluoro-4-(2-methyloxiran-2-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-4-(2-methyloxiran-2-yl)quinoline
PubChem CID166637341
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name6-fluoro-4-(2-methyloxiran-2-yl)quinoline
SMILESCC1(c2ccnc3ccc(F)cc23)CO1
InChIInChI=1S/C12H10FNO/c1-12(7-15-12)10-4-5-14-11-3-2-8(13)6-9(10)11/h2-6H,7H2,1H3
InChIKeyCQDDCBPEZKAECY-UHFFFAOYSA-N
XLogP2.62
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-Hydroxymethylquinoline
CID 1514385
4-(Hydroxymethyl)quinoline
CID 80479
(Quinolin-3-yl)methanol
CID 12662983
3-Quinolinemethanol, alpha-methyl-
CID 12415752
(2R)-2-quinolin-3-yl-2,3-dihydropyran-6-one
CID 25211163
(2R)-2-quinolin-4-yl-2,3-dihydropyran-6-one
CID 44570284
3-Fluoro-6-methoxyquinoline
CID 11309840
2-[2,8-Bis(trifluoromethyl)-4-quinolyl]oxirane
CID 12254566
7-Fluoro-6-methoxyquinoline
CID 58190604
(8-Fluoroquinolin-3-yl)methanol
CID 15513770
1-Methyl-4-(3-phenyloxiran-2-yl)quinolin-1-ium
CID 45489160
[(1R)-1-quinolin-3-ylbut-3-enyl] prop-2-enoate
CID 44570318

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(2-methyloxiran-2-yl)quinoline?
The IUPAC name of 6-fluoro-4-(2-methyloxiran-2-yl)quinoline (CID 166637341) is 6-fluoro-4-(2-methyloxiran-2-yl)quinoline.
What is the SMILES notation for 6-fluoro-4-(2-methyloxiran-2-yl)quinoline?
The canonical SMILES for 6-fluoro-4-(2-methyloxiran-2-yl)quinoline is CC1(c2ccnc3ccc(F)cc23)CO1.
What is the InChIKey of 6-fluoro-4-(2-methyloxiran-2-yl)quinoline?
The InChIKey is CQDDCBPEZKAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-12(7-15-12)10-4-5-14-11-3-2-8(13)6-9(10)11/h2-6H,7H2,1H3.
What are the key properties of 6-fluoro-4-(2-methyloxiran-2-yl)quinoline?
6-fluoro-4-(2-methyloxiran-2-yl)quinoline has a molecular weight of 203.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(2-methyloxiran-2-yl)quinoline is sourced from PubChem (CID 166637341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).