quinolin-8-ylmethyl 2-amino-3-methylbenzoate

C18H16N2O2 — CID 24670923

IUPACquinolin-8-ylmethyl 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cccc3cccnc23)c1N
InChIInChI=1S/C18H16N2O2/c1-12-5-2-9-15(16(12)19)18(21)22-11-14-7-3-6-13-8-4-10-20-17(13)14/h2-10H,11,19H2,1H3
InChIKeyUDDVWCCLSFBUIV-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.48
Rot. Bonds3

About quinolin-8-ylmethyl 2-amino-3-methylbenzoate

quinolin-8-ylmethyl 2-amino-3-methylbenzoate (PubChem CID 24670923) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is quinolin-8-ylmethyl 2-amino-3-methylbenzoate.

Molecular Properties

Compound Namequinolin-8-ylmethyl 2-amino-3-methylbenzoate
PubChem CID24670923
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namequinolin-8-ylmethyl 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cccc3cccnc23)c1N
InChIInChI=1S/C18H16N2O2/c1-12-5-2-9-15(16(12)19)18(21)22-11-14-7-3-6-13-8-4-10-20-17(13)14/h2-10H,11,19H2,1H3
InChIKeyUDDVWCCLSFBUIV-UHFFFAOYSA-N
XLogP3.48
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyrimidin-2-ylmethyl 2-amino-3-methylbenzoate
CID 62700152
quinolin-8-ylmethyl 3-hydroxybenzoate
CID 17392700
(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 105374623
ethyl 2-quinolin-8-ylacetate
CID 52562898
2-methylbenzamide;quinolin-8-amine
CID 174903342
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577350
4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562186
3-(2-amino-3-methylbenzoyl)oxypropanoic acid
CID 63949943
2-hydroxypropyl 2-amino-3-methylbenzoate
CID 65279683

Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethyl 2-amino-3-methylbenzoate?
The IUPAC name of quinolin-8-ylmethyl 2-amino-3-methylbenzoate (CID 24670923) is quinolin-8-ylmethyl 2-amino-3-methylbenzoate.
What is the SMILES notation for quinolin-8-ylmethyl 2-amino-3-methylbenzoate?
The canonical SMILES for quinolin-8-ylmethyl 2-amino-3-methylbenzoate is Cc1cccc(C(=O)OCc2cccc3cccnc23)c1N.
What is the InChIKey of quinolin-8-ylmethyl 2-amino-3-methylbenzoate?
The InChIKey is UDDVWCCLSFBUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-5-2-9-15(16(12)19)18(21)22-11-14-7-3-6-13-8-4-10-20-17(13)14/h2-10H,11,19H2,1H3.
What are the key properties of quinolin-8-ylmethyl 2-amino-3-methylbenzoate?
quinolin-8-ylmethyl 2-amino-3-methylbenzoate has a molecular weight of 292.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethyl 2-amino-3-methylbenzoate is sourced from PubChem (CID 24670923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).