methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate

C18H20N2O3 — CID 99814617

IUPACmethyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(C2CC2)nc2cc(C)cc(C)c12
InChIInChI=1S/C18H20N2O3/c1-10-6-11(2)17-13(18(22)19-9-16(21)23-3)8-14(12-4-5-12)20-15(17)7-10/h6-8,12H,4-5,9H2,1-3H3,(H,19,22)
InChIKeyZVRSDGBHIUJGCQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.63
Rot. Bonds4

About methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate

methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate (PubChem CID 99814617) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate
PubChem CID99814617
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(C2CC2)nc2cc(C)cc(C)c12
InChIInChI=1S/C18H20N2O3/c1-10-6-11(2)17-13(18(22)19-9-16(21)23-3)8-14(12-4-5-12)20-15(17)7-10/h6-8,12H,4-5,9H2,1-3H3,(H,19,22)
InChIKeyZVRSDGBHIUJGCQ-UHFFFAOYSA-N
XLogP2.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate (CID 99814617) is methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cc(C2CC2)nc2cc(C)cc(C)c12.
What is the InChIKey of methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate?
The InChIKey is ZVRSDGBHIUJGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-10-6-11(2)17-13(18(22)19-9-16(21)23-3)8-14(12-4-5-12)20-15(17)7-10/h6-8,12H,4-5,9H2,1-3H3,(H,19,22).
What are the key properties of methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate?
methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate has a molecular weight of 312.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopropyl-5,7-dimethylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 99814617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).