methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate

C17H14N2O2 — CID 134944004

IUPACmethyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cc2ccc3cccnc3n2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-17(20)14-6-4-12(5-7-14)11-15-9-8-13-3-2-10-18-16(13)19-15/h2-10H,11H2,1H3
InChIKeyLCIUUQOHECYGTP-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.01
Rot. Bonds3

About methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate

methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate (PubChem CID 134944004) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate
PubChem CID134944004
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Namemethyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cc2ccc3cccnc3n2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-17(20)14-6-4-12(5-7-14)11-15-9-8-13-3-2-10-18-16(13)19-15/h2-10H,11H2,1H3
InChIKeyLCIUUQOHECYGTP-UHFFFAOYSA-N
XLogP3.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
2-(methoxymethyl)-1,8-naphthyridine
CID 154147005
methyl 2-[2-(1,8-naphthyridin-2-yl)ethyl]triazole-4-carboxylate
CID 139422154
2-(1,8-naphthyridin-2-yl)acetamide
CID 66510813
methyl 3-chloro-1,8-naphthyridine-2-carboxylate
CID 174912004
methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate
CID 10543090
methyl 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzoate
CID 79041701
methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate
CID 83316546
methyl 4-(pyridin-2-ylsulfonylmethyl)benzoate
CID 66877242
methyl 4-(1,8-naphthyridin-2-yl)-1H-pyrrole-2-carboxylate
CID 134501033
ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
methyl 4-(7-bromoquinoline-8-carbonyl)benzoate
CID 175153769

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate?
The IUPAC name of methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate (CID 134944004) is methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate?
The canonical SMILES for methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate is COC(=O)c1ccc(Cc2ccc3cccnc3n2)cc1.
What is the InChIKey of methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate?
The InChIKey is LCIUUQOHECYGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-17(20)14-6-4-12(5-7-14)11-15-9-8-13-3-2-10-18-16(13)19-15/h2-10H,11H2,1H3.
What are the key properties of methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate?
methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate has a molecular weight of 278.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate is sourced from PubChem (CID 134944004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).