N,2-bis(4-aminophenyl)quinoline-8-carboxamide

C22H18N4O — CID 162143606

IUPACN,2-bis(4-aminophenyl)quinoline-8-carboxamide
SMILESNc1ccc(NC(=O)c2cccc3ccc(-c4ccc(N)cc4)nc23)cc1
InChIInChI=1S/C22H18N4O/c23-16-7-4-14(5-8-16)20-13-6-15-2-1-3-19(21(15)26-20)22(27)25-18-11-9-17(24)10-12-18/h1-13H,23-24H2,(H,25,27)
InChIKeyHWTAIRZWXGOLLW-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.32
Rot. Bonds3

About N,2-bis(4-aminophenyl)quinoline-8-carboxamide

N,2-bis(4-aminophenyl)quinoline-8-carboxamide (PubChem CID 162143606) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N,2-bis(4-aminophenyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-aminophenyl)quinoline-8-carboxamide
PubChem CID162143606
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN,2-bis(4-aminophenyl)quinoline-8-carboxamide
SMILESNc1ccc(NC(=O)c2cccc3ccc(-c4ccc(N)cc4)nc23)cc1
InChIInChI=1S/C22H18N4O/c23-16-7-4-14(5-8-16)20-13-6-15-2-1-3-19(21(15)26-20)22(27)25-18-11-9-17(24)10-12-18/h1-13H,23-24H2,(H,25,27)
InChIKeyHWTAIRZWXGOLLW-UHFFFAOYSA-N
XLogP4.32
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
N-(4-aminophenyl)-2-selanylbenzamide
CID 137348544
2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
CID 46376165
N-[6-(4-benzamidophenyl)-3-pyridinyl]naphthalene-1-carboxamide
CID 170422622
6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421908
2-(4-methoxyphenyl)quinoline-8-carboxylic acid
CID 125495985
2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide
CID 58154511
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chlorobenzamide
CID 28865171
N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-1-carboxamide
CID 7532319
2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 71375758

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-aminophenyl)quinoline-8-carboxamide?
The IUPAC name of N,2-bis(4-aminophenyl)quinoline-8-carboxamide (CID 162143606) is N,2-bis(4-aminophenyl)quinoline-8-carboxamide.
What is the SMILES notation for N,2-bis(4-aminophenyl)quinoline-8-carboxamide?
The canonical SMILES for N,2-bis(4-aminophenyl)quinoline-8-carboxamide is Nc1ccc(NC(=O)c2cccc3ccc(-c4ccc(N)cc4)nc23)cc1.
What is the InChIKey of N,2-bis(4-aminophenyl)quinoline-8-carboxamide?
The InChIKey is HWTAIRZWXGOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-16-7-4-14(5-8-16)20-13-6-15-2-1-3-19(21(15)26-20)22(27)25-18-11-9-17(24)10-12-18/h1-13H,23-24H2,(H,25,27).
What are the key properties of N,2-bis(4-aminophenyl)quinoline-8-carboxamide?
N,2-bis(4-aminophenyl)quinoline-8-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-aminophenyl)quinoline-8-carboxamide is sourced from PubChem (CID 162143606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).