methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate

C20H16N2O2 — CID 101478754

IUPACmethyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate
SMILESCOC(=O)C1=Cc2cc3ccccc3nc2N(c2ccccc2)C1
InChIInChI=1S/C20H16N2O2/c1-24-20(23)16-12-15-11-14-7-5-6-10-18(14)21-19(15)22(13-16)17-8-3-2-4-9-17/h2-12H,13H2,1H3
InChIKeyNCSAATJPKGGICW-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.94
Rot. Bonds2

About methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate

methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate (PubChem CID 101478754) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate
PubChem CID101478754
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Namemethyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate
SMILESCOC(=O)C1=Cc2cc3ccccc3nc2N(c2ccccc2)C1
InChIInChI=1S/C20H16N2O2/c1-24-20(23)16-12-15-11-14-7-5-6-10-18(14)21-19(15)22(13-16)17-8-3-2-4-9-17/h2-12H,13H2,1H3
InChIKeyNCSAATJPKGGICW-UHFFFAOYSA-N
XLogP3.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-naphthalen-1-yl-2H-quinoline-3-carboxylate
CID 102442420
methyl acridine-1-carboxylate
CID 54560619
methyl 1-phenyl-2H-pyridine-3-carboxylate
CID 141149522
methyl acridine-9-carboxylate
CID 21211
methyl 2-(3-chloro-5,5-difluoroazepan-1-yl)quinoline-3-carboxylate
CID 170312236
methyl 2-[3-(2-hydroxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline-3-carboxylate
CID 166293613
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 110348555
2-(4-methoxyphenyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 1490604
methyl 1-quinolin-3-ylazetidine-2-carboxylate
CID 112581415
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 64599168
methyl 1,3,4-triphenyl-2,3-dihydropyrrole-5-carboxylate
CID 11834966
methyl phenazine-2-carboxylate
CID 617185

Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate?
The IUPAC name of methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate (CID 101478754) is methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate is COC(=O)C1=Cc2cc3ccccc3nc2N(c2ccccc2)C1.
What is the InChIKey of methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate?
The InChIKey is NCSAATJPKGGICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-24-20(23)16-12-15-11-14-7-5-6-10-18(14)21-19(15)22(13-16)17-8-3-2-4-9-17/h2-12H,13H2,1H3.
What are the key properties of methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate?
methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-2H-benzo[b][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 101478754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).