N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide

C25H28N2O4 — CID 58024544

IUPACN-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide
SMILESC=CCc1ccc2[nH]c(=O)c(C(=O)Nc3ccc(OCCCCCC)cc3)c(O)c2c1
InChIInChI=1S/C25H28N2O4/c1-3-5-6-7-15-31-19-12-10-18(11-13-19)26-24(29)22-23(28)20-16-17(8-4-2)9-14-21(20)27-25(22)30/h4,9-14,16H,2-3,5-8,15H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyBDNCNISNSXGFHA-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.17
Rot. Bonds10

About N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide

N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide (PubChem CID 58024544) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide
PubChem CID58024544
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide
SMILESC=CCc1ccc2[nH]c(=O)c(C(=O)Nc3ccc(OCCCCCC)cc3)c(O)c2c1
InChIInChI=1S/C25H28N2O4/c1-3-5-6-7-15-31-19-12-10-18(11-13-19)26-24(29)22-23(28)20-16-17(8-4-2)9-14-21(20)27-25(22)30/h4,9-14,16H,2-3,5-8,15H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyBDNCNISNSXGFHA-UHFFFAOYSA-N
XLogP5.17
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

7-[4-[(7-acetamido-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]phenoxy]heptanoic acid
CID 54708239
butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 54682431
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 54818376
5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
CID 82344339
N-(4-decoxyphenyl)butanamide
CID 143303175
5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
CID 4951508
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
4-(4-aminophenoxy)-1-hydroxy-N-(4-octadecoxyphenyl)naphthalene-2-carboxamide
CID 43834944
2-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-octadecoxyphenyl)-N'-(3,4,5-trihydroxyphenyl)propanediamide
CID 18983744
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide (CID 58024544) is N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide is C=CCc1ccc2[nH]c(=O)c(C(=O)Nc3ccc(OCCCCCC)cc3)c(O)c2c1.
What is the InChIKey of N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide?
The InChIKey is BDNCNISNSXGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-5-6-7-15-31-19-12-10-18(11-13-19)26-24(29)22-23(28)20-16-17(8-4-2)9-14-21(20)27-25(22)30/h4,9-14,16H,2-3,5-8,15H2,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide?
N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 5.17, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 58024544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).