N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide

C19H17N5O7 — CID 5155192

IUPACN-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
SMILESCOc1cc(C=NNC(=O)COn2c(C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17N5O7/c1-11-21-15-6-4-3-5-14(15)19(27)23(11)31-10-17(25)22-20-9-12-7-13(30-2)8-16(18(12)26)24(28)29/h3-9,26H,10H2,1-2H3,(H,22,25)
InChIKeyUORGKSXMGNEUKR-UHFFFAOYSA-N
MW427.37 g/mol
LogP0.91
Rot. Bonds7

About N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide

N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide (PubChem CID 5155192) has the molecular formula C19H17N5O7 and a molecular weight of 427.37 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
PubChem CID5155192
Molecular FormulaC19H17N5O7
Molecular Weight427.37 g/mol
Exact Mass427.11
IUPAC NameN-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
SMILESCOc1cc(C=NNC(=O)COn2c(C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17N5O7/c1-11-21-15-6-4-3-5-14(15)19(27)23(11)31-10-17(25)22-20-9-12-7-13(30-2)8-16(18(12)26)24(28)29/h3-9,26H,10H2,1-2H3,(H,22,25)
InChIKeyUORGKSXMGNEUKR-UHFFFAOYSA-N
XLogP0.91
TPSA158.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
CID 135751960
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide
CID 136808328
N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 3248879
N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135831238
2-(2,5-dimethylphenyl)-N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 137180756
N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 135562646
(2R)-2-anilino-N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]butanamide
CID 135750369
[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]thiourea
CID 5219276
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135827890
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6868061
N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135717010

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide?
The IUPAC name of N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide (CID 5155192) is N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide is COc1cc(C=NNC(=O)COn2c(C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide?
The InChIKey is UORGKSXMGNEUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O7/c1-11-21-15-6-4-3-5-14(15)19(27)23(11)31-10-17(25)22-20-9-12-7-13(30-2)8-16(18(12)26)24(28)29/h3-9,26H,10H2,1-2H3,(H,22,25).
What are the key properties of N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide?
N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide has a molecular weight of 427.37 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(2-methyl-4-oxoquinazolin-3-yl)oxyacetamide is sourced from PubChem (CID 5155192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).