N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide

C28H22N4O4 — CID 91594053

IUPACN-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ccccc3n2)c(NC(=O)c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C28H22N4O4/c1-35-25-15-23(31-27(33)21-13-11-17-7-3-5-9-19(17)29-21)24(16-26(25)36-2)32-28(34)22-14-12-18-8-4-6-10-20(18)30-22/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyAVLZUIMUJMJQNH-UHFFFAOYSA-N
MW478.51 g/mol
LogP5.30
Rot. Bonds6

About N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide

N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide (PubChem CID 91594053) has the molecular formula C28H22N4O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
PubChem CID91594053
Molecular FormulaC28H22N4O4
Molecular Weight478.51 g/mol
Exact Mass478.16
IUPAC NameN-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ccccc3n2)c(NC(=O)c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C28H22N4O4/c1-35-25-15-23(31-27(33)21-13-11-17-7-3-5-9-19(17)29-21)24(16-26(25)36-2)32-28(34)22-14-12-18-8-4-6-10-20(18)30-22/h3-16H,1-2H3,(H,31,33)(H,32,34)
InChIKeyAVLZUIMUJMJQNH-UHFFFAOYSA-N
XLogP5.30
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-(3,4,5-trimethoxyphenyl)quinoline-2-carboxamide
CID 17410358
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]quinoline-2-carboxamide
CID 3265897
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634
tert-butyl N-[2-methoxy-5-(quinoline-2-carbonylamino)phenyl]carbamate
CID 55654804
N-(4-methoxy-3-sulfamoylphenyl)quinoline-2-carboxamide
CID 4789220
N-(2-methoxypyrimidin-5-yl)quinoline-2-carboxamide
CID 122301510
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)quinoline-2-carboxamide
CID 122323135
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide (CID 91594053) is N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide is COc1cc(NC(=O)c2ccc3ccccc3n2)c(NC(=O)c2ccc3ccccc3n2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide?
The InChIKey is AVLZUIMUJMJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4/c1-35-25-15-23(31-27(33)21-13-11-17-7-3-5-9-19(17)29-21)24(16-26(25)36-2)32-28(34)22-14-12-18-8-4-6-10-20(18)30-22/h3-16H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide?
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 91594053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).