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

C24H27Cl2N3O3 — CID 52912386

IUPAC2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide
SMILESCCCCCCCCNC(=O)c1ccc2[nH]c(-c3cc(Cl)c(N)c(Cl)c3)c(O)c(=O)c2c1
InChIInChI=1S/C24H27Cl2N3O3/c1-2-3-4-5-6-7-10-28-24(32)14-8-9-19-16(11-14)22(30)23(31)21(29-19)15-12-17(25)20(27)18(26)13-15/h8-9,11-13,31H,2-7,10,27H2,1H3,(H,28,32)(H,29,30)
InChIKeyCSEVVUQIEACLLL-UHFFFAOYSA-N
MW476.40 g/mol
LogP5.88
Rot. Bonds9

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

2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide (PubChem CID 52912386) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide
PubChem CID52912386
Molecular FormulaC24H27Cl2N3O3
Molecular Weight476.40 g/mol
Exact Mass475.14
IUPAC Name2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide
SMILESCCCCCCCCNC(=O)c1ccc2[nH]c(-c3cc(Cl)c(N)c(Cl)c3)c(O)c(=O)c2c1
InChIInChI=1S/C24H27Cl2N3O3/c1-2-3-4-5-6-7-10-28-24(32)14-8-9-19-16(11-14)22(30)23(31)21(29-19)15-12-17(25)20(27)18(26)13-15/h8-9,11-13,31H,2-7,10,27H2,1H3,(H,28,32)(H,29,30)
InChIKeyCSEVVUQIEACLLL-UHFFFAOYSA-N
XLogP5.88
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.40
LogP ≤ 55.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide
CID 52912684
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide
CID 52912586
2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide
CID 52912342
2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide
CID 52912299
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
3,4-diamino-N-dodecylbenzamide
CID 22411166
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
CID 16745861
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
4-amino-N-butyl-3-chlorobenzamide
CID 59763688

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide (CID 52912386) is 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide is CCCCCCCCNC(=O)c1ccc2[nH]c(-c3cc(Cl)c(N)c(Cl)c3)c(O)c(=O)c2c1.
What is the InChIKey of 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide?
The InChIKey is CSEVVUQIEACLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3/c1-2-3-4-5-6-7-10-28-24(32)14-8-9-19-16(11-14)22(30)23(31)21(29-19)15-12-17(25)20(27)18(26)13-15/h8-9,11-13,31H,2-7,10,27H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide?
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide has a molecular weight of 476.40 g/mol, XLogP of 5.88, 9 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)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 52912386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).