(6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol

C16H16N2O2 — CID 10015860

IUPAC(6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol
SMILESOc1cc2c(cc1O)[C@H]1c3cccnc3CN[C@@H]1CC2
InChIInChI=1S/C16H16N2O2/c19-14-6-9-3-4-12-16(11(9)7-15(14)20)10-2-1-5-17-13(10)8-18-12/h1-2,5-7,12,16,18-20H,3-4,8H2/t12-,16-/m1/s1
InChIKeyZFSVGJPKLUWVIK-MLGOLLRUSA-N
MW268.32 g/mol
LogP2.04
Rot. Bonds

About (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol

(6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol (PubChem CID 10015860) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol.

Molecular Properties

Compound Name(6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol
PubChem CID10015860
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol
SMILESOc1cc2c(cc1O)[C@H]1c3cccnc3CN[C@@H]1CC2
InChIInChI=1S/C16H16N2O2/c19-14-6-9-3-4-12-16(11(9)7-15(14)20)10-2-1-5-17-13(10)8-18-12/h1-2,5-7,12,16,18-20H,3-4,8H2/t12-,16-/m1/s1
InChIKeyZFSVGJPKLUWVIK-MLGOLLRUSA-N
XLogP2.04
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5459346
CID 5459346
CID 2050
CID 2050
CID 156018227
CID 156018227
CID 44276404
CID 44276404
CID 44276405
CID 44276405
CID 44276412
CID 44276412
CID 44276414
CID 44276414
CID 44276535
CID 44276535
CID 44276551
CID 44276551
CID 44276552
CID 44276552
CID 44276556
CID 44276556
CID 44276557
CID 44276557

Frequently Asked Questions

What is the IUPAC name of (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol?
The IUPAC name of (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol (CID 10015860) is (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol.
What is the SMILES notation for (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol?
The canonical SMILES for (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol is Oc1cc2c(cc1O)[C@H]1c3cccnc3CN[C@@H]1CC2.
What is the InChIKey of (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol?
The InChIKey is ZFSVGJPKLUWVIK-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-14-6-9-3-4-12-16(11(9)7-15(14)20)10-2-1-5-17-13(10)8-18-12/h1-2,5-7,12,16,18-20H,3-4,8H2/t12-,16-/m1/s1.
What are the key properties of (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol?
(6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol has a molecular weight of 268.32 g/mol, XLogP of 2.04, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,12bS)-5,6,6a,7,8,12b-hexahydronaphtho[1,2-f][1,7]naphthyridine-10,11-diol is sourced from PubChem (CID 10015860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).