2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine

C22H16N2O — CID 164611355

IUPAC2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine
SMILESCc1ccc2c(c1)-c1nc3ncccc3c(-c3ccccc3)c1CO2
InChIInChI=1S/C22H16N2O/c1-14-9-10-19-17(12-14)21-18(13-25-19)20(15-6-3-2-4-7-15)16-8-5-11-23-22(16)24-21/h2-12H,13H2,1H3
InChIKeyIBONQFOYRPFFQG-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.16
Rot. Bonds1

About 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine

2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine (PubChem CID 164611355) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine
PubChem CID164611355
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine
SMILESCc1ccc2c(c1)-c1nc3ncccc3c(-c3ccccc3)c1CO2
InChIInChI=1S/C22H16N2O/c1-14-9-10-19-17(12-14)21-18(13-25-19)20(15-6-3-2-4-7-15)16-8-5-11-23-22(16)24-21/h2-12H,13H2,1H3
InChIKeyIBONQFOYRPFFQG-UHFFFAOYSA-N
XLogP5.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine?
The IUPAC name of 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine (CID 164611355) is 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine.
What is the SMILES notation for 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine?
The canonical SMILES for 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine is Cc1ccc2c(c1)-c1nc3ncccc3c(-c3ccccc3)c1CO2.
What is the InChIKey of 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine?
The InChIKey is IBONQFOYRPFFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-14-9-10-19-17(12-14)21-18(13-25-19)20(15-6-3-2-4-7-15)16-8-5-11-23-22(16)24-21/h2-12H,13H2,1H3.
What are the key properties of 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine?
2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine has a molecular weight of 324.38 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-6H-chromeno[4,3-b][1,8]naphthyridine is sourced from PubChem (CID 164611355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).