4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide

C21H21N3O5 — CID 136825000

IUPAC4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)N/N=C\c2ccc(O)c(OC)c2)c(O)c2ccccc21
InChIInChI=1S/C21H21N3O5/c1-3-10-24-15-7-5-4-6-14(15)19(26)18(21(24)28)20(27)23-22-12-13-8-9-16(25)17(11-13)29-2/h4-9,11-12,25-26H,3,10H2,1-2H3,(H,23,27)/b22-12-
InChIKeyCFBYKPDDJKPDNR-UUYOSTAYSA-N
MW395.42 g/mol
LogP2.60
Rot. Bonds6

About 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide

4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide (PubChem CID 136825000) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide
PubChem CID136825000
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)N/N=C\c2ccc(O)c(OC)c2)c(O)c2ccccc21
InChIInChI=1S/C21H21N3O5/c1-3-10-24-15-7-5-4-6-14(15)19(26)18(21(24)28)20(27)23-22-12-13-8-9-16(25)17(11-13)29-2/h4-9,11-12,25-26H,3,10H2,1-2H3,(H,23,27)/b22-12-
InChIKeyCFBYKPDDJKPDNR-UUYOSTAYSA-N
XLogP2.60
TPSA113.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 135632207
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 135641524
N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54681792
4-hydroxy-2-oxo-1-propyl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
CID 98171553
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54697988
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
1-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 136742494
1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
CID 98171554
N-[(Z)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 98171561
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
4-hydroxy-1-methyl-2-oxo-N-[(2,4,5-trimethoxyphenyl)methylideneamino]quinoline-3-carboxamide
CID 171131422
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98126432

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide (CID 136825000) is 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)N/N=C\c2ccc(O)c(OC)c2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is CFBYKPDDJKPDNR-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-10-24-15-7-5-4-6-14(15)19(26)18(21(24)28)20(27)23-22-12-13-8-9-16(25)17(11-13)29-2/h4-9,11-12,25-26H,3,10H2,1-2H3,(H,23,27)/b22-12-.
What are the key properties of 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide?
4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 136825000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).