(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine

C21H17FN2O — CID 155513688

IUPAC(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
SMILESFc1ccc2c(c1)[C@H]1Nc3cccnc3[C@@H](c3ccccc3)[C@@H]1CO2
InChIInChI=1S/C21H17FN2O/c22-14-8-9-18-15(11-14)20-16(12-25-18)19(13-5-2-1-3-6-13)21-17(24-20)7-4-10-23-21/h1-11,16,19-20,24H,12H2/t16-,19-,20+/m0/s1
InChIKeyNCLLNXUAQBYZDL-FFZOFVMBSA-N
MW332.38 g/mol
LogP4.53
Rot. Bonds1

About (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine

(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine (PubChem CID 155513688) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine.

Molecular Properties

Compound Name(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
PubChem CID155513688
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
SMILESFc1ccc2c(c1)[C@H]1Nc3cccnc3[C@@H](c3ccccc3)[C@@H]1CO2
InChIInChI=1S/C21H17FN2O/c22-14-8-9-18-15(11-14)20-16(12-25-18)19(13-5-2-1-3-6-13)21-17(24-20)7-4-10-23-21/h1-11,16,19-20,24H,12H2/t16-,19-,20+/m0/s1
InChIKeyNCLLNXUAQBYZDL-FFZOFVMBSA-N
XLogP4.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine?
The IUPAC name of (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine (CID 155513688) is (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine.
What is the SMILES notation for (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine?
The canonical SMILES for (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine is Fc1ccc2c(c1)[C@H]1Nc3cccnc3[C@@H](c3ccccc3)[C@@H]1CO2.
What is the InChIKey of (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine?
The InChIKey is NCLLNXUAQBYZDL-FFZOFVMBSA-N. The full InChI is InChI=1S/C21H17FN2O/c22-14-8-9-18-15(11-14)20-16(12-25-18)19(13-5-2-1-3-6-13)21-17(24-20)7-4-10-23-21/h1-11,16,19-20,24H,12H2/t16-,19-,20+/m0/s1.
What are the key properties of (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine?
(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine has a molecular weight of 332.38 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine is sourced from PubChem (CID 155513688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).