methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate

C25H20N2O3 — CID 6604014

IUPACmethyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H20N2O3/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/h2-16,23H,1H3,(H,27,28)/t23-/m0/s1
InChIKeyIUMQXQJZIHWLIN-QHCPKHFHSA-N
MW396.45 g/mol
LogP4.55
Rot. Bonds5

About methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate

methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate (PubChem CID 6604014) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
PubChem CID6604014
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Namemethyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H20N2O3/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/h2-16,23H,1H3,(H,27,28)/t23-/m0/s1
InChIKeyIUMQXQJZIHWLIN-QHCPKHFHSA-N
XLogP4.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB 222200
CID 6604009
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
SB 218795
CID 6604858
Tert-butyl [(trans-4-{[({2-[4-(aminomethyl)phenyl]quinolin-4-YL}carbonyl)amino]methyl}cyclohexyl)methyl]carbamate
CID 49843456
3-(4-Morpholin-4-yl-piperidin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
CID 10370066
methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-3-phenylpropanoate
CID 164609663
2-phenyl-N-(tetrahydrofuran-2-ylmethyl)quinoline-4-carboxamide
CID 2873539
Cambridge id 7007502
CID 753478
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960
N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
CID 5002006
N-benzyl-2-phenylquinoline-4-carboxamide
CID 667698
2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 2932589

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate (CID 6604014) is methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate is COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
The InChIKey is IUMQXQJZIHWLIN-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H20N2O3/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/h2-16,23H,1H3,(H,27,28)/t23-/m0/s1.
What are the key properties of methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate?
methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate has a molecular weight of 396.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 6604014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).