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

C21H21Cl2N3O3 — CID 52912586

IUPAC2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide
SMILESCCCCCNC(=O)c1cccc2c(=O)c(O)c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c12
InChIInChI=1S/C21H21Cl2N3O3/c1-2-3-4-8-25-21(29)13-7-5-6-12-18(13)26-17(20(28)19(12)27)11-9-14(22)16(24)15(23)10-11/h5-7,9-10,28H,2-4,8,24H2,1H3,(H,25,29)(H,26,27)
InChIKeyZMWAXPDPQLLBBR-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.71
Rot. Bonds6

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

2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide (PubChem CID 52912586) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide
PubChem CID52912586
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide
SMILESCCCCCNC(=O)c1cccc2c(=O)c(O)c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c12
InChIInChI=1S/C21H21Cl2N3O3/c1-2-3-4-8-25-21(29)13-7-5-6-12-18(13)26-17(20(28)19(12)27)11-9-14(22)16(24)15(23)10-11/h5-7,9-10,28H,2-4,8,24H2,1H3,(H,25,29)(H,26,27)
InChIKeyZMWAXPDPQLLBBR-UHFFFAOYSA-N
XLogP4.71
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.71
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-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
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
2-chloro-N-undecylbenzamide
CID 3373978
2,3-diamino-N-hexadecylbenzamide
CID 68850287
1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
CID 139806223
2,3-difluoro-N-pentylbenzamide
CID 62649821

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide?
The IUPAC name of 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide (CID 52912586) is 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide?
The canonical SMILES for 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide is CCCCCNC(=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)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide?
The InChIKey is ZMWAXPDPQLLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-2-3-4-8-25-21(29)13-7-5-6-12-18(13)26-17(20(28)19(12)27)11-9-14(22)16(24)15(23)10-11/h5-7,9-10,28H,2-4,8,24H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide?
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-4-oxo-N-pentyl-1H-quinoline-8-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 4.71, 6 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-4-oxo-N-pentyl-1H-quinoline-8-carboxamide is sourced from PubChem (CID 52912586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).