methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate

C13H11ClN2O3 — CID 110490073

IUPACmethyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C13H11ClN2O3/c1-19-12(17)7-16-13(18)9-4-8-2-3-10(14)5-11(8)15-6-9/h2-6H,7H2,1H3,(H,16,18)
InChIKeyZSXPCQUKLNJXRW-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate

methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate (PubChem CID 110490073) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate
PubChem CID110490073
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Namemethyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C13H11ClN2O3/c1-19-12(17)7-16-13(18)9-4-8-2-3-10(14)5-11(8)15-6-9/h2-6H,7H2,1H3,(H,16,18)
InChIKeyZSXPCQUKLNJXRW-UHFFFAOYSA-N
XLogP1.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate
CID 110490110
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
tert-butyl N-[2-[[7-[(3-chlorophenyl)methoxy]quinoline-3-carbonyl]amino]ethyl]carbamate
CID 131733288
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283
7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide
CID 86301486
methyl 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]amino]acetate
CID 24891148
7-chloro-3-methylquinoline
CID 23510375
6-chloroquinoline-3-carboxylic acid
CID 14241492

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate (CID 110490073) is methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cnc2cc(Cl)ccc2c1.
What is the InChIKey of methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate?
The InChIKey is ZSXPCQUKLNJXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-19-12(17)7-16-13(18)9-4-8-2-3-10(14)5-11(8)15-6-9/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate?
methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate has a molecular weight of 278.70 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate is sourced from PubChem (CID 110490073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).