(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate

C20H17ClN2O3 — CID 40762897

IUPAC(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCc2cc3ccccc3nc2Cl)c1
InChIInChI=1S/C20H17ClN2O3/c1-13-5-4-7-15(9-13)20(25)22-11-18(24)26-12-16-10-14-6-2-3-8-17(14)23-19(16)21/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyMOAFEJWCGISBLD-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.67
Rot. Bonds5

About (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate

(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 40762897) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
PubChem CID40762897
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCc2cc3ccccc3nc2Cl)c1
InChIInChI=1S/C20H17ClN2O3/c1-13-5-4-7-15(9-13)20(25)22-11-18(24)26-12-16-10-14-6-2-3-8-17(14)23-19(16)21/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyMOAFEJWCGISBLD-UHFFFAOYSA-N
XLogP3.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
(4-bromophenyl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 9363996
3-methyl-N-[2-[methyl(quinolin-3-yl)amino]-2-oxoethyl]benzamide
CID 167956505
(2,4-dichlorophenyl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 2342593
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879494
(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882414
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
(2-chloroquinolin-3-yl)methyl 2-(4-fluorophenoxy)acetate
CID 9458328
3-methyl-N-phenacylbenzamide
CID 3417494
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363665

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate (CID 40762897) is (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCc2cc3ccccc3nc2Cl)c1.
What is the InChIKey of (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is MOAFEJWCGISBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-13-5-4-7-15(9-13)20(25)22-11-18(24)26-12-16-10-14-6-2-3-8-17(14)23-19(16)21/h2-10H,11-12H2,1H3,(H,22,25).
What are the key properties of (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate?
(2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 368.82 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 40762897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).