(6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one

C14H13NO3 — CID 139585431

IUPAC(6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
SMILESCc1cc2cc3c(c(O)c2cn1)C(=O)CC[C@@H]3O
InChIInChI=1S/C14H13NO3/c1-7-4-8-5-9-11(16)2-3-12(17)13(9)14(18)10(8)6-15-7/h4-6,11,16,18H,2-3H2,1H3/t11-/m0/s1
InChIKeyNIYXKENUJWLUGW-NSHDSACASA-N
MW243.26 g/mol
LogP2.26
Rot. Bonds

About (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one

(6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one (PubChem CID 139585431) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one.

Molecular Properties

Compound Name(6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
PubChem CID139585431
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
SMILESCc1cc2cc3c(c(O)c2cn1)C(=O)CC[C@@H]3O
InChIInChI=1S/C14H13NO3/c1-7-4-8-5-9-11(16)2-3-12(17)13(9)14(18)10(8)6-15-7/h4-6,11,16,18H,2-3H2,1H3/t11-/m0/s1
InChIKeyNIYXKENUJWLUGW-NSHDSACASA-N
XLogP2.26
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one?
The IUPAC name of (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one (CID 139585431) is (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one.
What is the SMILES notation for (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one?
The canonical SMILES for (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one is Cc1cc2cc3c(c(O)c2cn1)C(=O)CC[C@@H]3O.
What is the InChIKey of (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one?
The InChIKey is NIYXKENUJWLUGW-NSHDSACASA-N. The full InChI is InChI=1S/C14H13NO3/c1-7-4-8-5-9-11(16)2-3-12(17)13(9)14(18)10(8)6-15-7/h4-6,11,16,18H,2-3H2,1H3/t11-/m0/s1.
What are the key properties of (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one?
(6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one has a molecular weight of 243.26 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,10-dihydroxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one is sourced from PubChem (CID 139585431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).