methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate

C21H16N2O3 — CID 102226718

IUPACmethyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate
SMILESCOC(=O)c1nc2ccccc2c2ccnc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C21H16N2O3/c1-25-14-9-7-13(8-10-14)19-18-16(11-12-22-19)15-5-3-4-6-17(15)23-20(18)21(24)26-2/h3-12H,1-2H3
InChIKeySGTRIWQPNUFEEB-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.25
Rot. Bonds3

About methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate

methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate (PubChem CID 102226718) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate
PubChem CID102226718
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Namemethyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate
SMILESCOC(=O)c1nc2ccccc2c2ccnc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C21H16N2O3/c1-25-14-9-7-13(8-10-14)19-18-16(11-12-22-19)15-5-3-4-6-17(15)23-20(18)21(24)26-2/h3-12H,1-2H3
InChIKeySGTRIWQPNUFEEB-UHFFFAOYSA-N
XLogP4.25
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate
CID 5216026
dimethyl 1-phenylisoquinoline-3,4-dicarboxylate
CID 11858745
2,3-bis(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 95560580
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870
N-(2-chloro-3-pyridinyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4189374
N-(4-chlorophenyl)-4-(4-methoxyphenyl)quinazoline-2-carboxamide
CID 14528232
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
2-(4-methoxyphenyl)-3,4-dimethylquinoline;hydrochloride
CID 42918992
4-chloro-5-phenylbenzo[c][2,7]naphthyridine
CID 10446974
methyl acridine-9-carboxylate
CID 21211
methyl 2,6-bis(4-methoxyphenyl)-5-methylpyrimidine-4-carboxylate
CID 90960617
methyl 2-[2-(4-methoxyphenyl)-4-phenylquinolin-3-yl]sulfanylacetate
CID 73347743

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate?
The IUPAC name of methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate (CID 102226718) is methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate?
The canonical SMILES for methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate is COC(=O)c1nc2ccccc2c2ccnc(-c3ccc(OC)cc3)c12.
What is the InChIKey of methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate?
The InChIKey is SGTRIWQPNUFEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c1-25-14-9-7-13(8-10-14)19-18-16(11-12-22-19)15-5-3-4-6-17(15)23-20(18)21(24)26-2/h3-12H,1-2H3.
What are the key properties of methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate?
methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyphenyl)benzo[c][2,7]naphthyridine-5-carboxylate is sourced from PubChem (CID 102226718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).