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

C14H14ClNO — CID 10857804

IUPAC(10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one
SMILESC[C@]12CCC(=O)NC1=CCc1cc(Cl)ccc12
InChIInChI=1S/C14H14ClNO/c1-14-7-6-13(17)16-12(14)5-2-9-8-10(15)3-4-11(9)14/h3-5,8H,2,6-7H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyVAIZKBFWLGGIEL-CQSZACIVSA-N
MW247.72 g/mol
LogP2.95
Rot. Bonds

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

(10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one (PubChem CID 10857804) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name(10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one
PubChem CID10857804
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name(10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one
SMILESC[C@]12CCC(=O)NC1=CCc1cc(Cl)ccc12
InChIInChI=1S/C14H14ClNO/c1-14-7-6-13(17)16-12(14)5-2-9-8-10(15)3-4-11(9)14/h3-5,8H,2,6-7H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyVAIZKBFWLGGIEL-CQSZACIVSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one?
The IUPAC name of (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one (CID 10857804) is (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one.
What is the SMILES notation for (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one?
The canonical SMILES for (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one is C[C@]12CCC(=O)NC1=CCc1cc(Cl)ccc12.
What is the InChIKey of (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one?
The InChIKey is VAIZKBFWLGGIEL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-14-7-6-13(17)16-12(14)5-2-9-8-10(15)3-4-11(9)14/h3-5,8H,2,6-7H2,1H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one?
(10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one has a molecular weight of 247.72 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-8-chloro-10b-methyl-1,2,4,6-tetrahydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 10857804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).