2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide

C23H17Cl2N3O3 — CID 52912342

IUPAC2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide
SMILESNc1c(Cl)cc(-c2[nH]c3ccc(C(=O)NCc4ccccc4)cc3c(=O)c2O)cc1Cl
InChIInChI=1S/C23H17Cl2N3O3/c24-16-9-14(10-17(25)19(16)26)20-22(30)21(29)15-8-13(6-7-18(15)28-20)23(31)27-11-12-4-2-1-3-5-12/h1-10,30H,11,26H2,(H,27,31)(H,28,29)
InChIKeyGDYMBUSXUUKJJQ-UHFFFAOYSA-N
MW454.31 g/mol
LogP4.72
Rot. Bonds4

About 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide

2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 52912342) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide
PubChem CID52912342
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC Name2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide
SMILESNc1c(Cl)cc(-c2[nH]c3ccc(C(=O)NCc4ccccc4)cc3c(=O)c2O)cc1Cl
InChIInChI=1S/C23H17Cl2N3O3/c24-16-9-14(10-17(25)19(16)26)20-22(30)21(29)15-8-13(6-7-18(15)28-20)23(31)27-11-12-4-2-1-3-5-12/h1-10,30H,11,26H2,(H,27,31)(H,28,29)
InChIKeyGDYMBUSXUUKJJQ-UHFFFAOYSA-N
XLogP4.72
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
CID 16745860
2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide
CID 52912299
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide
CID 52912586
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-6-carboxamide
CID 91574789
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
3-(2-aminoethyl)-N-benzyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 66831579
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
N-benzyl-3,4-difluorobenzamide
CID 1294460
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide (CID 52912342) is 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide is Nc1c(Cl)cc(-c2[nH]c3ccc(C(=O)NCc4ccccc4)cc3c(=O)c2O)cc1Cl.
What is the InChIKey of 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is GDYMBUSXUUKJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c24-16-9-14(10-17(25)19(16)26)20-22(30)21(29)15-8-13(6-7-18(15)28-20)23(31)27-11-12-4-2-1-3-5-12/h1-10,30H,11,26H2,(H,27,31)(H,28,29).
What are the key properties of 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide?
2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide has a molecular weight of 454.31 g/mol, XLogP of 4.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 52912342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).