(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one

C22H18N2O — CID 134962981

IUPAC(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one
SMILESO=C1Nc2ccccc2[C@@H]2Nc3ccccc3[C@H](c3ccccc3)[C@@H]12
InChIInChI=1S/C22H18N2O/c25-22-20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)23-21(20)16-11-5-7-13-18(16)24-22/h1-13,19-21,23H,(H,24,25)/t19-,20+,21-/m0/s1
InChIKeyZHJAHAFSTPZBIO-HBMCJLEFSA-N
MW326.40 g/mol
LogP4.55
Rot. Bonds1

About (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one

(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one (PubChem CID 134962981) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one.

Molecular Properties

Compound Name(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one
PubChem CID134962981
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one
SMILESO=C1Nc2ccccc2[C@@H]2Nc3ccccc3[C@H](c3ccccc3)[C@@H]12
InChIInChI=1S/C22H18N2O/c25-22-20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)23-21(20)16-11-5-7-13-18(16)24-22/h1-13,19-21,23H,(H,24,25)/t19-,20+,21-/m0/s1
InChIKeyZHJAHAFSTPZBIO-HBMCJLEFSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one?
The IUPAC name of (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one (CID 134962981) is (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one.
What is the SMILES notation for (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one?
The canonical SMILES for (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one is O=C1Nc2ccccc2[C@@H]2Nc3ccccc3[C@H](c3ccccc3)[C@@H]12.
What is the InChIKey of (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one?
The InChIKey is ZHJAHAFSTPZBIO-HBMCJLEFSA-N. The full InChI is InChI=1S/C22H18N2O/c25-22-20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)23-21(20)16-11-5-7-13-18(16)24-22/h1-13,19-21,23H,(H,24,25)/t19-,20+,21-/m0/s1.
What are the key properties of (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one?
(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one has a molecular weight of 326.40 g/mol, XLogP of 4.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one is sourced from PubChem (CID 134962981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).