methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate

C23H17N3O3 — CID 2220860

IUPACmethyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C23H17N3O3/c1-29-23(28)15-9-11-16(12-10-15)25-22(27)18-14-21(20-8-4-5-13-24-20)26-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,25,27)
InChIKeyVFQDDYXCRYCRRK-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.34
Rot. Bonds4

About methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate

methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate (PubChem CID 2220860) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
PubChem CID2220860
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Namemethyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1
InChIInChI=1S/C23H17N3O3/c1-29-23(28)15-9-11-16(12-10-15)25-22(27)18-14-21(20-8-4-5-13-24-20)26-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,25,27)
InChIKeyVFQDDYXCRYCRRK-UHFFFAOYSA-N
XLogP4.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
methyl 4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 3464523
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23931100
methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate
CID 1330020
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide
CID 56946178
6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220682

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate (CID 2220860) is methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1.
What is the InChIKey of methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is VFQDDYXCRYCRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-29-23(28)15-9-11-16(12-10-15)25-22(27)18-14-21(20-8-4-5-13-24-20)26-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,25,27).
What are the key properties of methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate?
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate has a molecular weight of 383.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 2220860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).