(4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

C14H16ClNO — CID 10264096

IUPAC(4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@@H]2c3ccc(Cl)cc3CC[C@@H]21
InChIInChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
InChIKeyWQBIOEFDDDEARX-OLZOCXBDSA-N
MW249.74 g/mol
LogP2.99
Rot. Bonds

About (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one

(4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (PubChem CID 10264096) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name(4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
PubChem CID10264096
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@@H]2c3ccc(Cl)cc3CC[C@@H]21
InChIInChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1
InChIKeyWQBIOEFDDDEARX-OLZOCXBDSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one with MolForge

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Related Compounds

Bexlosteride
CID 166562
8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10106832
8-Chloro-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10059992
8-Chloro-4-methyl-1,4,5,6-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10243712
8-Chloro-4,10b-dimethyl-1,4,6,10b-tetrahydro-2H-benzo[f]quinolin-3-one
CID 10355313
(R)-8-Chloro-4,10b-dimethyl-1,4,6,10b-tetrahydro-2H-benzo[f]quinolin-3-one
CID 18654192
(R)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 44275160
8-Fluoro-4-methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 9991591
4-Methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10082004
4,8-Dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10105225
(4aS,10bR)-8-fluoro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 10331550
8-Chloro-10b-methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 9881419

Frequently Asked Questions

What is the IUPAC name of (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The IUPAC name of (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one (CID 10264096) is (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The canonical SMILES for (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is CN1C(=O)CC[C@@H]2c3ccc(Cl)cc3CC[C@@H]21.
What is the InChIKey of (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
The InChIKey is WQBIOEFDDDEARX-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13+/m1/s1.
What are the key properties of (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one?
(4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one has a molecular weight of 249.74 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bR)-8-chloro-4-methyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 10264096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).