10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine

C21H19N3O — CID 59572221

IUPAC10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine
SMILESCc1ccc(N2c3ncccc3Cc3cccnc32)c2c1CCCO2
InChIInChI=1S/C21H19N3O/c1-14-8-9-18(19-17(14)7-4-12-25-19)24-20-15(5-2-10-22-20)13-16-6-3-11-23-21(16)24/h2-3,5-6,8-11H,4,7,12-13H2,1H3
InChIKeyKLOKSMRUBNPKMI-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.48
Rot. Bonds1

About 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine

10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine (PubChem CID 59572221) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine.

Molecular Properties

Compound Name10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine
PubChem CID59572221
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine
SMILESCc1ccc(N2c3ncccc3Cc3cccnc32)c2c1CCCO2
InChIInChI=1S/C21H19N3O/c1-14-8-9-18(19-17(14)7-4-12-25-19)24-20-15(5-2-10-22-20)13-16-6-3-11-23-21(16)24/h2-3,5-6,8-11H,4,7,12-13H2,1H3
InChIKeyKLOKSMRUBNPKMI-UHFFFAOYSA-N
XLogP4.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine?
The IUPAC name of 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine (CID 59572221) is 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine.
What is the SMILES notation for 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine?
The canonical SMILES for 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine is Cc1ccc(N2c3ncccc3Cc3cccnc32)c2c1CCCO2.
What is the InChIKey of 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine?
The InChIKey is KLOKSMRUBNPKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-8-9-18(19-17(14)7-4-12-25-19)24-20-15(5-2-10-22-20)13-16-6-3-11-23-21(16)24/h2-3,5-6,8-11H,4,7,12-13H2,1H3.
What are the key properties of 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine?
10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine has a molecular weight of 329.40 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-5H-pyrido[2,3-b][1,8]naphthyridine is sourced from PubChem (CID 59572221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).