9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline

C26H18N2 — CID 126483454

IUPAC9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline
SMILESCc1ccc2cc3c4ccccc4nc(-c4cccc5ccccc45)c3n2c1
InChIInChI=1S/C26H18N2/c1-17-13-14-19-15-23-21-10-4-5-12-24(21)27-25(26(23)28(19)16-17)22-11-6-8-18-7-2-3-9-20(18)22/h2-16H,1H3
InChIKeyCYQSPERPCCPCEK-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.77
Rot. Bonds1

About 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline

9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline (PubChem CID 126483454) has the molecular formula C26H18N2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline.

Molecular Properties

Compound Name9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline
PubChem CID126483454
Molecular FormulaC26H18N2
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC Name9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline
SMILESCc1ccc2cc3c4ccccc4nc(-c4cccc5ccccc45)c3n2c1
InChIInChI=1S/C26H18N2/c1-17-13-14-19-15-23-21-10-4-5-12-24(21)27-25(26(23)28(19)16-17)22-11-6-8-18-7-2-3-9-20(18)22/h2-16H,1H3
InChIKeyCYQSPERPCCPCEK-UHFFFAOYSA-N
XLogP6.77
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline?
The IUPAC name of 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline (CID 126483454) is 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline.
What is the SMILES notation for 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline?
The canonical SMILES for 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline is Cc1ccc2cc3c4ccccc4nc(-c4cccc5ccccc45)c3n2c1.
What is the InChIKey of 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline?
The InChIKey is CYQSPERPCCPCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2/c1-17-13-14-19-15-23-21-10-4-5-12-24(21)27-25(26(23)28(19)16-17)22-11-6-8-18-7-2-3-9-20(18)22/h2-16H,1H3.
What are the key properties of 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline?
9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline has a molecular weight of 358.44 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-naphthalen-1-ylindolizino[3,2-c]quinoline is sourced from PubChem (CID 126483454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).