[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate

C31H25N3O4 — CID 23794735

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C31H25N3O4/c1-20-12-13-28(37-2)27(18-20)34-30(35)29(22-8-4-3-5-9-22)38-31(36)24-19-26(21-14-16-32-17-15-21)33-25-11-7-6-10-23(24)25/h3-19,29H,1-2H3,(H,34,35)
InChIKeyVDNSHXVOEIUKOG-UHFFFAOYSA-N
MW503.56 g/mol
LogP6.15
Rot. Bonds7

About [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate (PubChem CID 23794735) has the molecular formula C31H25N3O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate
PubChem CID23794735
Molecular FormulaC31H25N3O4
Molecular Weight503.56 g/mol
Exact Mass503.18
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C31H25N3O4/c1-20-12-13-28(37-2)27(18-20)34-30(35)29(22-8-4-3-5-9-22)38-31(36)24-19-26(21-14-16-32-17-15-21)33-25-11-7-6-10-23(24)25/h3-19,29H,1-2H3,(H,34,35)
InChIKeyVDNSHXVOEIUKOG-UHFFFAOYSA-N
XLogP6.15
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 3600454
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-4-methylbenzoate
CID 42966348
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
CID 4803801
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 1H-indazole-3-carboxylate
CID 7649472
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2407466
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55393089
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methylbenzoyl)benzoate
CID 3518860
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2395762
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2,4-difluorobenzoate
CID 4853977
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate
CID 46675416
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate (CID 23794735) is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate is COc1ccc(C)cc1NC(=O)C(OC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
The InChIKey is VDNSHXVOEIUKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O4/c1-20-12-13-28(37-2)27(18-20)34-30(35)29(22-8-4-3-5-9-22)38-31(36)24-19-26(21-14-16-32-17-15-21)33-25-11-7-6-10-23(24)25/h3-19,29H,1-2H3,(H,34,35).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate has a molecular weight of 503.56 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-pyridin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 23794735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).