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

C23H17N3O3 — CID 2327757

IUPACmethyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C23H17N3O3/c1-29-23(28)16-6-8-17(9-7-16)25-22(27)19-14-21(15-10-12-24-13-11-15)26-20-5-3-2-4-18(19)20/h2-14H,1H3,(H,25,27)
InChIKeyLQHKYURSPBNOTD-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.34
Rot. Bonds4

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

methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate (PubChem CID 2327757) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
PubChem CID2327757
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Namemethyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C23H17N3O3/c1-29-23(28)16-6-8-17(9-7-16)25-22(27)19-14-21(15-10-12-24-13-11-15)26-20-5-3-2-4-18(19)20/h2-14H,1H3,(H,25,27)
InChIKeyLQHKYURSPBNOTD-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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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate (CID 2327757) is methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is LQHKYURSPBNOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-29-23(28)16-6-8-17(9-7-16)25-22(27)19-14-21(15-10-12-24-13-11-15)26-20-5-3-2-4-18(19)20/h2-14H,1H3,(H,25,27).
What are the key properties of methyl 4-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate?
methyl 4-[(2-pyridin-4-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-4-ylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 2327757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).