2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide

C28H35Cl2N3O3 — CID 52912684

IUPAC2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cccc2c(=O)c(O)c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c12
InChIInChI=1S/C28H35Cl2N3O3/c1-2-3-4-5-6-7-8-9-10-11-15-32-28(36)20-14-12-13-19-25(20)33-24(27(35)26(19)34)18-16-21(29)23(31)22(30)17-18/h12-14,16-17,35H,2-11,15,31H2,1H3,(H,32,36)(H,33,34)
InChIKeyINYSDGOSPYMXOI-UHFFFAOYSA-N
MW532.51 g/mol
LogP7.44
Rot. Bonds13

About 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide

2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide (PubChem CID 52912684) has the molecular formula C28H35Cl2N3O3 and a molecular weight of 532.51 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide
PubChem CID52912684
Molecular FormulaC28H35Cl2N3O3
Molecular Weight532.51 g/mol
Exact Mass531.21
IUPAC Name2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cccc2c(=O)c(O)c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c12
InChIInChI=1S/C28H35Cl2N3O3/c1-2-3-4-5-6-7-8-9-10-11-15-32-28(36)20-14-12-13-19-25(20)33-24(27(35)26(19)34)18-16-21(29)23(31)22(30)17-18/h12-14,16-17,35H,2-11,15,31H2,1H3,(H,32,36)(H,33,34)
InChIKeyINYSDGOSPYMXOI-UHFFFAOYSA-N
XLogP7.44
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.51
LogP ≤ 57.44
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)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide
CID 52912586
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide
CID 52912386
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-(3-imidazol-1-ylpropyl)-4-oxo-1H-quinoline-8-carboxamide
CID 52912494
2-(4-amino-3,5-dichlorophenyl)-N-benzyl-3-hydroxy-4-oxo-1H-quinoline-6-carboxamide
CID 52912342
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
2-chloro-N-undecylbenzamide
CID 3373978
2,3-diamino-N-hexadecylbenzamide
CID 68850287
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
CID 139806223
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide?
The IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide (CID 52912684) is 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide?
The canonical SMILES for 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide is CCCCCCCCCCCCNC(=O)c1cccc2c(=O)c(O)c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c12.
What is the InChIKey of 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide?
The InChIKey is INYSDGOSPYMXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35Cl2N3O3/c1-2-3-4-5-6-7-8-9-10-11-15-32-28(36)20-14-12-13-19-25(20)33-24(27(35)26(19)34)18-16-21(29)23(31)22(30)17-18/h12-14,16-17,35H,2-11,15,31H2,1H3,(H,32,36)(H,33,34).
What are the key properties of 2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide?
2-(4-amino-3,5-dichlorophenyl)-N-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide has a molecular weight of 532.51 g/mol, XLogP of 7.44, 13 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-dodecyl-3-hydroxy-4-oxo-1H-quinoline-8-carboxamide is sourced from PubChem (CID 52912684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).