ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate

C18H15N3O2 — CID 639421

IUPACethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccn3c4ccccc4nc23)nc1C
InChIInChI=1S/C18H15N3O2/c1-3-23-18(22)12-10-13-14(19-11(12)2)8-9-21-16-7-5-4-6-15(16)20-17(13)21/h4-10H,3H2,1-2H3
InChIKeyNGKSFCZLKLZCPZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.52
Rot. Bonds2

About ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate

ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate (PubChem CID 639421) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate
PubChem CID639421
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Nameethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccn3c4ccccc4nc23)nc1C
InChIInChI=1S/C18H15N3O2/c1-3-23-18(22)12-10-13-14(19-11(12)2)8-9-21-16-7-5-4-6-15(16)20-17(13)21/h4-10H,3H2,1-2H3
InChIKeyNGKSFCZLKLZCPZ-UHFFFAOYSA-N
XLogP3.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 146315981
Methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
CID 146316027
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
CID 4782702
ethyl 2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 705218
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carboxylic acid methyl ester
CID 10454772
Methyl 9-(3-purin-7-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397331
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-3-carboxylic acid
CID 121596883
2-Methoxyethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 660498
Benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 662561

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate?
The IUPAC name of ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate (CID 639421) is ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate is CCOC(=O)c1cc2c(ccn3c4ccccc4nc23)nc1C.
What is the InChIKey of ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate?
The InChIKey is NGKSFCZLKLZCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-3-23-18(22)12-10-13-14(19-11(12)2)8-9-21-16-7-5-4-6-15(16)20-17(13)21/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate?
ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate has a molecular weight of 305.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylbenzimidazolo[2,1-f][1,6]naphthyridine-2-carboxylate is sourced from PubChem (CID 639421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).