methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate

C26H22N2O4 — CID 10622339

IUPACmethyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C26H22N2O4/c1-31-19-14-12-18(13-15-19)24(26(30)32-2)28-25(29)21-16-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16,24H,1-2H3,(H,28,29)/t24-/m1/s1
InChIKeyQTLPNFZRBVSFGU-XMMPIXPASA-N
MW426.47 g/mol
LogP4.55
Rot. Bonds6

About methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate

methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate (PubChem CID 10622339) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
PubChem CID10622339
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Namemethyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C26H22N2O4/c1-31-19-14-12-18(13-15-19)24(26(30)32-2)28-25(29)21-16-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16,24H,1-2H3,(H,28,29)/t24-/m1/s1
InChIKeyQTLPNFZRBVSFGU-XMMPIXPASA-N
XLogP4.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate (CID 10622339) is methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate is COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The InChIKey is QTLPNFZRBVSFGU-XMMPIXPASA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-19-14-12-18(13-15-19)24(26(30)32-2)28-25(29)21-16-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16,24H,1-2H3,(H,28,29)/t24-/m1/s1.
What are the key properties of methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methoxyphenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 10622339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).