methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate

C25H26N2O3 — CID 10272462

IUPACmethyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h3,6-9,12-17,23H,2,4-5,10-11H2,1H3,(H,27,28)
InChIKeyUKPBWQXEZQZWKN-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.93
Rot. Bonds5

About methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate

methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate (PubChem CID 10272462) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate
PubChem CID10272462
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Namemethyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h3,6-9,12-17,23H,2,4-5,10-11H2,1H3,(H,27,28)
InChIKeyUKPBWQXEZQZWKN-UHFFFAOYSA-N
XLogP4.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate (CID 10272462) is methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(C2CCCCC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate?
The InChIKey is UKPBWQXEZQZWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h3,6-9,12-17,23H,2,4-5,10-11H2,1H3,(H,27,28).
What are the key properties of methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate?
methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate has a molecular weight of 402.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclohexylquinoline-4-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 10272462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).