(6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine

C22H20N2O2 — CID 155552488

IUPAC(6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
SMILESCOc1ccc2c(n1)[C@@H](c1ccccc1)[C@@H]1COc3ccccc3[C@H]1N2
InChIInChI=1S/C22H20N2O2/c1-25-19-12-11-17-22(24-19)20(14-7-3-2-4-8-14)16-13-26-18-10-6-5-9-15(18)21(16)23-17/h2-12,16,20-21,23H,13H2,1H3/t16-,20-,21+/m0/s1
InChIKeyHFXJCUDSLLSUHA-ORYQWCPZSA-N
MW344.41 g/mol
LogP4.40
Rot. Bonds2

About (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine

(6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine (PubChem CID 155552488) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine.

Molecular Properties

Compound Name(6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
PubChem CID155552488
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
SMILESCOc1ccc2c(n1)[C@@H](c1ccccc1)[C@@H]1COc3ccccc3[C@H]1N2
InChIInChI=1S/C22H20N2O2/c1-25-19-12-11-17-22(24-19)20(14-7-3-2-4-8-14)16-13-26-18-10-6-5-9-15(18)21(16)23-17/h2-12,16,20-21,23H,13H2,1H3/t16-,20-,21+/m0/s1
InChIKeyHFXJCUDSLLSUHA-ORYQWCPZSA-N
XLogP4.40
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine?
The IUPAC name of (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine (CID 155552488) is (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine.
What is the SMILES notation for (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine?
The canonical SMILES for (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine is COc1ccc2c(n1)[C@@H](c1ccccc1)[C@@H]1COc3ccccc3[C@H]1N2.
What is the InChIKey of (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine?
The InChIKey is HFXJCUDSLLSUHA-ORYQWCPZSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-19-12-11-17-22(24-19)20(14-7-3-2-4-8-14)16-13-26-18-10-6-5-9-15(18)21(16)23-17/h2-12,16,20-21,23H,13H2,1H3/t16-,20-,21+/m0/s1.
What are the key properties of (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine?
(6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine has a molecular weight of 344.41 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,7R,12aS)-9-methoxy-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine is sourced from PubChem (CID 155552488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).