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

C27H24N2O3 — CID 174344465

IUPACmethyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate
SMILESCOC(=O)[C@](C)(c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C27H24N2O3/c1-27(26(31)32-3,20-14-8-5-9-15-20)29(2)25(30)22-18-24(19-12-6-4-7-13-19)28-23-17-11-10-16-21(22)23/h4-18H,1-3H3/t27-/m0/s1
InChIKeyQRMSKWNSHXWLTB-MHZLTWQESA-N
MW424.50 g/mol
LogP5.06
Rot. Bonds5

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

methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate (PubChem CID 174344465) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate
PubChem CID174344465
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Namemethyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate
SMILESCOC(=O)[C@](C)(c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C27H24N2O3/c1-27(26(31)32-3,20-14-8-5-9-15-20)29(2)25(30)22-18-24(19-12-6-4-7-13-19)28-23-17-11-10-16-21(22)23/h4-18H,1-3H3/t27-/m0/s1
InChIKeyQRMSKWNSHXWLTB-MHZLTWQESA-N
XLogP5.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264
methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 158247376
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654263
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
CID 39491212
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55332232

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate (CID 174344465) is methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate is COC(=O)[C@](C)(c1ccccc1)N(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate?
The InChIKey is QRMSKWNSHXWLTB-MHZLTWQESA-N. The full InChI is InChI=1S/C27H24N2O3/c1-27(26(31)32-3,20-14-8-5-9-15-20)29(2)25(30)22-18-24(19-12-6-4-7-13-19)28-23-17-11-10-16-21(22)23/h4-18H,1-3H3/t27-/m0/s1.
What are the key properties of methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate?
methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate has a molecular weight of 424.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 174344465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).