4-methylbenzo[b][1,6]naphthyridine

C13H10N2 — CID 144676863

IUPAC4-methylbenzo[b][1,6]naphthyridine
SMILESCc1cncc2cc3ccccc3nc12
InChIInChI=1S/C13H10N2/c1-9-7-14-8-11-6-10-4-2-3-5-12(10)15-13(9)11/h2-8H,1H3
InChIKeyLLUMWTUIHFLLFH-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.09
Rot. Bonds

About 4-methylbenzo[b][1,6]naphthyridine

4-methylbenzo[b][1,6]naphthyridine (PubChem CID 144676863) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-methylbenzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name4-methylbenzo[b][1,6]naphthyridine
PubChem CID144676863
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name4-methylbenzo[b][1,6]naphthyridine
SMILESCc1cncc2cc3ccccc3nc12
InChIInChI=1S/C13H10N2/c1-9-7-14-8-11-6-10-4-2-3-5-12(10)15-13(9)11/h2-8H,1H3
InChIKeyLLUMWTUIHFLLFH-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

28-methyl-31-azaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12(34),13,15,17(33),18,20,22(32),23,25,27,29-octadecaene
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acridine;ethane
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acridine
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2-methylbenzo[b][1,10]phenanthroline
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acridine;iron
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acridine;sulfane
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acridine;dihydrate
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4-methylbenzo[c]acridin-1-amine
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4-methylacridin-3-ol
CID 135711163

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzo[b][1,6]naphthyridine?
The IUPAC name of 4-methylbenzo[b][1,6]naphthyridine (CID 144676863) is 4-methylbenzo[b][1,6]naphthyridine.
What is the SMILES notation for 4-methylbenzo[b][1,6]naphthyridine?
The canonical SMILES for 4-methylbenzo[b][1,6]naphthyridine is Cc1cncc2cc3ccccc3nc12.
What is the InChIKey of 4-methylbenzo[b][1,6]naphthyridine?
The InChIKey is LLUMWTUIHFLLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-7-14-8-11-6-10-4-2-3-5-12(10)15-13(9)11/h2-8H,1H3.
What are the key properties of 4-methylbenzo[b][1,6]naphthyridine?
4-methylbenzo[b][1,6]naphthyridine has a molecular weight of 194.24 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzo[b][1,6]naphthyridine is sourced from PubChem (CID 144676863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).