(12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one

C19H25NO — CID 58666293

IUPAC(12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one
SMILESCc1ccc2c(c1)CCC1C2CC[C@]2(C)NC(=O)CCC12
InChIInChI=1S/C19H25NO/c1-12-3-5-14-13(11-12)4-6-16-15(14)9-10-19(2)17(16)7-8-18(21)20-19/h3,5,11,15-17H,4,6-10H2,1-2H3,(H,20,21)/t15?,16?,17?,19-/m0/s1
InChIKeyLMGXDVZXBOFWHZ-QMUDONBSSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds

About (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one

(12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one (PubChem CID 58666293) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one.

Molecular Properties

Compound Name(12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one
PubChem CID58666293
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one
SMILESCc1ccc2c(c1)CCC1C2CC[C@]2(C)NC(=O)CCC12
InChIInChI=1S/C19H25NO/c1-12-3-5-14-13(11-12)4-6-16-15(14)9-10-19(2)17(16)7-8-18(21)20-19/h3,5,11,15-17H,4,6-10H2,1-2H3,(H,20,21)/t15?,16?,17?,19-/m0/s1
InChIKeyLMGXDVZXBOFWHZ-QMUDONBSSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one?
The IUPAC name of (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one (CID 58666293) is (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one.
What is the SMILES notation for (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one?
The canonical SMILES for (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one is Cc1ccc2c(c1)CCC1C2CC[C@]2(C)NC(=O)CCC12.
What is the InChIKey of (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one?
The InChIKey is LMGXDVZXBOFWHZ-QMUDONBSSA-N. The full InChI is InChI=1S/C19H25NO/c1-12-3-5-14-13(11-12)4-6-16-15(14)9-10-19(2)17(16)7-8-18(21)20-19/h3,5,11,15-17H,4,6-10H2,1-2H3,(H,20,21)/t15?,16?,17?,19-/m0/s1.
What are the key properties of (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one?
(12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one has a molecular weight of 283.42 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (12aS)-8,12a-dimethyl-1,3,4,4a,4b,5,6,10b,11,12-decahydronaphtho[2,1-f]quinolin-2-one is sourced from PubChem (CID 58666293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).