1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine

C16H16N2 — CID 150787819

IUPAC1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine
SMILESCc1ccc2c(cnc3ncc(C)c(C)c32)c1C
InChIInChI=1S/C16H16N2/c1-9-5-6-13-14(11(9)3)8-18-16-15(13)12(4)10(2)7-17-16/h5-8H,1-4H3
InChIKeyKDFLCVDUHXSQHN-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.02
Rot. Bonds

About 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine

1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine (PubChem CID 150787819) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine.

Molecular Properties

Compound Name1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine
PubChem CID150787819
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine
SMILESCc1ccc2c(cnc3ncc(C)c(C)c32)c1C
InChIInChI=1S/C16H16N2/c1-9-5-6-13-14(11(9)3)8-18-16-15(13)12(4)10(2)7-17-16/h5-8H,1-4H3
InChIKeyKDFLCVDUHXSQHN-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 91553074
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CID 132548286
copper(1+);2,3,4,7,8-pentamethyl-1,10-phenanthroline
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Frequently Asked Questions

What is the IUPAC name of 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine?
The IUPAC name of 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine (CID 150787819) is 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine.
What is the SMILES notation for 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine?
The canonical SMILES for 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine is Cc1ccc2c(cnc3ncc(C)c(C)c32)c1C.
What is the InChIKey of 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine?
The InChIKey is KDFLCVDUHXSQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-9-5-6-13-14(11(9)3)8-18-16-15(13)12(4)10(2)7-17-16/h5-8H,1-4H3.
What are the key properties of 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine?
1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine has a molecular weight of 236.32 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,7,8-tetramethylbenzo[c][1,8]naphthyridine is sourced from PubChem (CID 150787819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).