methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate

C25H21N3O3 — CID 177319819

IUPACmethyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C25H21N3O3/c1-15-12-16(2)23-19(13-15)20(14-22(28-23)21-6-4-5-11-26-21)24(29)27-18-9-7-17(8-10-18)25(30)31-3/h4-14H,1-3H3,(H,27,29)
InChIKeyFYBKWZADGABMSL-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.95
Rot. Bonds4

About methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate

methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate (PubChem CID 177319819) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
PubChem CID177319819
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Namemethyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C25H21N3O3/c1-15-12-16(2)23-19(13-15)20(14-22(28-23)21-6-4-5-11-26-21)24(29)27-18-9-7-17(8-10-18)25(30)31-3/h4-14H,1-3H3,(H,27,29)
InChIKeyFYBKWZADGABMSL-UHFFFAOYSA-N
XLogP4.95
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
6,8-dimethyl-N-[4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 177319770
6,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261395
6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220543
N-[4-[(4-ethyl-3-methyl-1,2-oxazol-5-yl)methyl-methylcarbamoyl]phenyl]-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 177319821
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
butyl 4-[[6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoate
CID 17257826
methyl 4-[(2,3-dipyridin-2-ylquinoxaline-6-carbonyl)amino]benzoate
CID 1330020
N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647725
pentyl 4-[(6,8-dimethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 19647693
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide
CID 177319795

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate (CID 177319819) is methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3c(C)cc(C)cc23)cc1.
What is the InChIKey of methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate?
The InChIKey is FYBKWZADGABMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-15-12-16(2)23-19(13-15)20(14-22(28-23)21-6-4-5-11-26-21)24(29)27-18-9-7-17(8-10-18)25(30)31-3/h4-14H,1-3H3,(H,27,29).
What are the key properties of methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate?
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate has a molecular weight of 411.46 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 177319819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).