(10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one

C20H29NO — CID 57322612

IUPAC(10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
SMILESCC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C1CCCCC1
InChIInChI=1S/C20H29NO/c1-14-10-11-17-16-8-5-9-20(22)18(16)12-13-19(17)21(14)15-6-3-2-4-7-15/h5,8,13-18H,2-4,6-7,9-12H2,1H3/t14?,16?,17-,18?/m0/s1
InChIKeyBHYHPROQPHSMHT-QVNWPQDDSA-N
MW299.46 g/mol
LogP4.47
Rot. Bonds1

About (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one

(10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one (PubChem CID 57322612) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one.

Molecular Properties

Compound Name(10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
PubChem CID57322612
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one
SMILESCC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C1CCCCC1
InChIInChI=1S/C20H29NO/c1-14-10-11-17-16-8-5-9-20(22)18(16)12-13-19(17)21(14)15-6-3-2-4-7-15/h5,8,13-18H,2-4,6-7,9-12H2,1H3/t14?,16?,17-,18?/m0/s1
InChIKeyBHYHPROQPHSMHT-QVNWPQDDSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The IUPAC name of (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one (CID 57322612) is (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one.
What is the SMILES notation for (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The canonical SMILES for (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one is CC1CC[C@@H]2C(=CCC3C(=O)CC=CC32)N1C1CCCCC1.
What is the InChIKey of (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
The InChIKey is BHYHPROQPHSMHT-QVNWPQDDSA-N. The full InChI is InChI=1S/C20H29NO/c1-14-10-11-17-16-8-5-9-20(22)18(16)12-13-19(17)21(14)15-6-3-2-4-7-15/h5,8,13-18H,2-4,6-7,9-12H2,1H3/t14?,16?,17-,18?/m0/s1.
What are the key properties of (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one?
(10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one has a molecular weight of 299.46 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-4-cyclohexyl-3-methyl-1,2,3,6,6a,8,10a,10b-octahydrobenzo[f]quinolin-7-one is sourced from PubChem (CID 57322612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).