methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate

C15H11ClN2O2 — CID 11716181

IUPACmethyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate
SMILESCOC(=O)c1c(C)nc(Cl)c2cnc3ccccc3c12
InChIInChI=1S/C15H11ClN2O2/c1-8-12(15(19)20-2)13-9-5-3-4-6-11(9)17-7-10(13)14(16)18-8/h3-7H,1-2H3
InChIKeyYKRGXISQNBTXSG-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.53
Rot. Bonds1

About methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate

methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate (PubChem CID 11716181) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate
PubChem CID11716181
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Namemethyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate
SMILESCOC(=O)c1c(C)nc(Cl)c2cnc3ccccc3c12
InChIInChI=1S/C15H11ClN2O2/c1-8-12(15(19)20-2)13-9-5-3-4-6-11(9)17-7-10(13)14(16)18-8/h3-7H,1-2H3
InChIKeyYKRGXISQNBTXSG-UHFFFAOYSA-N
XLogP3.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl 3-chloroisoquinoline-4-carboxylate
CID 71748466
methyl acridine-9-carboxylate
CID 21211
methyl 7-methylphenanthridine-9-carboxylate
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methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
3-chloroquinoline-4-carboxylic acid
CID 22158738
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
CID 162691899
dimethyl picene-13,14-dicarboxylate
CID 101053496
methyl 3-amino-4-chloro-1H-pyrrolo[3,2-c]quinoline-2-carboxylate
CID 11437318
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
3-methylquinoline-4-carbonyl chloride
CID 119093566

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate?
The IUPAC name of methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate (CID 11716181) is methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate?
The canonical SMILES for methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate is COC(=O)c1c(C)nc(Cl)c2cnc3ccccc3c12.
What is the InChIKey of methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate?
The InChIKey is YKRGXISQNBTXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-8-12(15(19)20-2)13-9-5-3-4-6-11(9)17-7-10(13)14(16)18-8/h3-7H,1-2H3.
What are the key properties of methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate?
methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-methylbenzo[c][2,7]naphthyridine-1-carboxylate is sourced from PubChem (CID 11716181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).