(6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine

C22H20N2O — CID 134143089

IUPAC(6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
SMILESCOc1cccc([C@H]2Nc3cccnc3[C@H]3c4ccccc4C[C@H]32)c1
InChIInChI=1S/C22H20N2O/c1-25-16-8-4-7-15(12-16)21-18-13-14-6-2-3-9-17(14)20(18)22-19(24-21)10-5-11-23-22/h2-12,18,20-21,24H,13H2,1H3/t18-,20+,21-/m1/s1
InChIKeyIWOOEXGFQSDCJH-HLAWJBBLSA-N
MW328.42 g/mol
LogP4.56
Rot. Bonds2

About (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine

(6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine (PubChem CID 134143089) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine.

Molecular Properties

Compound Name(6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
PubChem CID134143089
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine
SMILESCOc1cccc([C@H]2Nc3cccnc3[C@H]3c4ccccc4C[C@H]32)c1
InChIInChI=1S/C22H20N2O/c1-25-16-8-4-7-15(12-16)21-18-13-14-6-2-3-9-17(14)20(18)22-19(24-21)10-5-11-23-22/h2-12,18,20-21,24H,13H2,1H3/t18-,20+,21-/m1/s1
InChIKeyIWOOEXGFQSDCJH-HLAWJBBLSA-N
XLogP4.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The IUPAC name of (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine (CID 134143089) is (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine.
What is the SMILES notation for (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The canonical SMILES for (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine is COc1cccc([C@H]2Nc3cccnc3[C@H]3c4ccccc4C[C@H]32)c1.
What is the InChIKey of (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
The InChIKey is IWOOEXGFQSDCJH-HLAWJBBLSA-N. The full InChI is InChI=1S/C22H20N2O/c1-25-16-8-4-7-15(12-16)21-18-13-14-6-2-3-9-17(14)20(18)22-19(24-21)10-5-11-23-22/h2-12,18,20-21,24H,13H2,1H3/t18-,20+,21-/m1/s1.
What are the key properties of (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine?
(6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine has a molecular weight of 328.42 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aR,11bR)-6-(3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c][1,5]naphthyridine is sourced from PubChem (CID 134143089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).