(10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one

C14H18N2O — CID 154732041

IUPAC(10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one
SMILESCc1cc2c(c3c1CCC[C@@H]3N)CCC(=O)N2
InChIInChI=1S/C14H18N2O/c1-8-7-12-10(5-6-13(17)16-12)14-9(8)3-2-4-11(14)15/h7,11H,2-6,15H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyAIWZHSGWTLPBCV-NSHDSACASA-N
MW230.31 g/mol
LogP2.22
Rot. Bonds

About (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one

(10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one (PubChem CID 154732041) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one
PubChem CID154732041
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one
SMILESCc1cc2c(c3c1CCC[C@@H]3N)CCC(=O)N2
InChIInChI=1S/C14H18N2O/c1-8-7-12-10(5-6-13(17)16-12)14-9(8)3-2-4-11(14)15/h7,11H,2-6,15H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyAIWZHSGWTLPBCV-NSHDSACASA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one (CID 154732041) is (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one is Cc1cc2c(c3c1CCC[C@@H]3N)CCC(=O)N2.
What is the InChIKey of (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is AIWZHSGWTLPBCV-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-7-12-10(5-6-13(17)16-12)14-9(8)3-2-4-11(14)15/h7,11H,2-6,15H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one?
(10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 230.31 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-amino-6-methyl-2,4,7,8,9,10-hexahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 154732041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).