6-fluoro-2-methyl-4-(oxan-2-yl)quinoline

C15H16FNO — CID 146170266

IUPAC6-fluoro-2-methyl-4-(oxan-2-yl)quinoline
SMILESCc1cc(C2CCCCO2)c2cc(F)ccc2n1
InChIInChI=1S/C15H16FNO/c1-10-8-13(15-4-2-3-7-18-15)12-9-11(16)5-6-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyTWZUEEVPCLQEMH-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.92
Rot. Bonds1

About 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline

6-fluoro-2-methyl-4-(oxan-2-yl)quinoline (PubChem CID 146170266) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-4-(oxan-2-yl)quinoline
PubChem CID146170266
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name6-fluoro-2-methyl-4-(oxan-2-yl)quinoline
SMILESCc1cc(C2CCCCO2)c2cc(F)ccc2n1
InChIInChI=1S/C15H16FNO/c1-10-8-13(15-4-2-3-7-18-15)12-9-11(16)5-6-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyTWZUEEVPCLQEMH-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5-Dihydro-2-oxazolyl)quinoline
CID 828047
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
3-[(Benzyloxy)methyl]-5-fluoro-2-methylquinolin-4-amine
CID 11098484
Phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 18511481
[6-Fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinolin-4-yl]methanol
CID 10338613
1-(4-Fluorophenyl)-2-quinolin-2-ylethanol
CID 44346580
3-(Methoxymethyl)-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432679
4-Methoxy-2-pentylquinoline
CID 3009247
Quinoline, 4-methyl-2-(vinyloxy)-
CID 214959
2-Methoxy-4-methylquinoline
CID 84796
Quinoline-2-methanol acetate
CID 273161
7-(3-(Methoxymethyl)phenyl)-2-methylquinoline
CID 44432664

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline?
The IUPAC name of 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline (CID 146170266) is 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline?
The canonical SMILES for 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline is Cc1cc(C2CCCCO2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline?
The InChIKey is TWZUEEVPCLQEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-8-13(15-4-2-3-7-18-15)12-9-11(16)5-6-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3.
What are the key properties of 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline?
6-fluoro-2-methyl-4-(oxan-2-yl)quinoline has a molecular weight of 245.30 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4-(oxan-2-yl)quinoline is sourced from PubChem (CID 146170266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).