(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C17H16FN — CID 19686

IUPAC(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCN1CCc2cccc3c2[C@@H]1Cc1ccc(F)cc1-3
InChIInChI=1S/C17H16FN/c1-19-8-7-11-3-2-4-14-15-10-13(18)6-5-12(15)9-16(19)17(11)14/h2-6,10,16H,7-9H2,1H3/t16-/m0/s1
InChIKeyYBXQZYWKHMWRAK-INIZCTEOSA-N
MW253.32 g/mol
LogP3.58
Rot. Bonds

About (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 19686) has the molecular formula C17H16FN and a molecular weight of 253.32 g/mol. Its IUPAC name is (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID19686
Molecular FormulaC17H16FN
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC Name(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCN1CCc2cccc3c2[C@@H]1Cc1ccc(F)cc1-3
InChIInChI=1S/C17H16FN/c1-19-8-7-11-3-2-4-14-15-10-13(18)6-5-12(15)9-16(19)17(11)14/h2-6,10,16H,7-9H2,1H3/t16-/m0/s1
InChIKeyYBXQZYWKHMWRAK-INIZCTEOSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10107666
bis((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol);hydrochloride
CID 3046132
sodium;(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydride
CID 174625151
tetrakis((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol);trihydrate;tetrahydrochloride
CID 20843067
(6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride
CID 6604693
(6aR)-2-bromo-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 67001257
(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10637496
[2-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]-3-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 10698929
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;methyl acetate
CID 121437272
[(6aR)-11-acetyloxy-9-ethyl-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate
CID 146025821
[(6aS)-6-methyl-11-(4-methylbenzoyl)oxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 4-methylbenzoate
CID 92846825
2-methyl-13-thia-2,11-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8,10(14),11-pentaen-12-amine;dihydrochloride
CID 90663672

Frequently Asked Questions

What is the IUPAC name of (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 19686) is (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is CN1CCc2cccc3c2[C@@H]1Cc1ccc(F)cc1-3.
What is the InChIKey of (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is YBXQZYWKHMWRAK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FN/c1-19-8-7-11-3-2-4-14-15-10-13(18)6-5-12(15)9-16(19)17(11)14/h2-6,10,16H,7-9H2,1H3/t16-/m0/s1.
What are the key properties of (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 253.32 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 19686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).