2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid

C27H24N2O4 — CID 110077127

IUPAC2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
SMILESCOc1ccc(-c2cc(C(=O)N(CCc3ccccc3)CC(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C27H24N2O4/c1-33-21-13-11-20(12-14-21)25-17-23(22-9-5-6-10-24(22)28-25)27(32)29(18-26(30)31)16-15-19-7-3-2-4-8-19/h2-14,17H,15-16,18H2,1H3,(H,30,31)
InChIKeyVMARCXBNYMJBCU-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.68
Rot. Bonds8

About 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid

2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 110077127) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
PubChem CID110077127
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
SMILESCOc1ccc(-c2cc(C(=O)N(CCc3ccccc3)CC(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C27H24N2O4/c1-33-21-13-11-20(12-14-21)25-17-23(22-9-5-6-10-24(22)28-25)27(32)29(18-26(30)31)16-15-19-7-3-2-4-8-19/h2-14,17H,15-16,18H2,1H3,(H,30,31)
InChIKeyVMARCXBNYMJBCU-UHFFFAOYSA-N
XLogP4.68
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid with MolForge

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Related Compounds

2-[2-(4-chlorophenyl)ethyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
CID 110077137
2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
CID 110165696
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 78800017
[2-(dibenzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23988368
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid (CID 110077127) is 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid is COc1ccc(-c2cc(C(=O)N(CCc3ccccc3)CC(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is VMARCXBNYMJBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-33-21-13-11-20(12-14-21)25-17-23(22-9-5-6-10-24(22)28-25)27(32)29(18-26(30)31)16-15-19-7-3-2-4-8-19/h2-14,17H,15-16,18H2,1H3,(H,30,31).
What are the key properties of 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 440.50 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 110077127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).