(4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

C15H18ClNO — CID 10106832

IUPAC(4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(Cl)cc3CC[C@@H]12
InChIInChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1
InChIKeyKTBSRSVHEOTHLD-UKRRQHHQSA-N
MW263.77 g/mol
LogP3.16
Rot. Bonds

About (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

(4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 10106832) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID10106832
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(Cl)cc3CC[C@@H]12
InChIInChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1
InChIKeyKTBSRSVHEOTHLD-UKRRQHHQSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one with MolForge

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Launch Full Analysis

Related Compounds

Bexlosteride
CID 166562
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-methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10264096
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
4-Methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 10082004
8-Chloro-10b-methyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
CID 9881419
8-Chloro-4-methyl-1,4,4a,5,6,10b-hexahydrobenzo[f]quinolin-3(2H)-one
CID 9859767
8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 10445491
4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 19707315

Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 10106832) is (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is CN1C(=O)CC[C@]2(C)c3ccc(Cl)cc3CC[C@@H]12.
What is the InChIKey of (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is KTBSRSVHEOTHLD-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
(4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 263.77 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-8-chloro-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 10106832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).