benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C16H16N2O2 — CID 118993560

IUPACbenzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2ccncc2C1
InChIInChI=1S/C16H16N2O2/c19-16(20-12-13-4-2-1-3-5-13)18-9-7-14-6-8-17-10-15(14)11-18/h1-6,8,10H,7,9,11-12H2
InChIKeyFEMRXKBEGRGLDU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.78
Rot. Bonds2

About benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 118993560) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID118993560
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Namebenzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2ccncc2C1
InChIInChI=1S/C16H16N2O2/c19-16(20-12-13-4-2-1-3-5-13)18-9-7-14-6-8-17-10-15(14)11-18/h1-6,8,10H,7,9,11-12H2
InChIKeyFEMRXKBEGRGLDU-UHFFFAOYSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-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

benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
ethyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 23394084
benzyl 6-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133061367
benzyl 7-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 84511536
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 58015350
(3-fluorophenyl)methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 66653977
benzyl 6-cyano-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133059107
benzyl 3-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 138492194
benzyl 3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carboxylate
CID 101463739
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900
6-methoxy-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 146564820

Frequently Asked Questions

What is the IUPAC name of benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 118993560) is benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is O=C(OCc1ccccc1)N1CCc2ccncc2C1.
What is the InChIKey of benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is FEMRXKBEGRGLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20-12-13-4-2-1-3-5-13)18-9-7-14-6-8-17-10-15(14)11-18/h1-6,8,10H,7,9,11-12H2.
What are the key properties of benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 118993560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).