N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide

C19H18N4O4 — CID 6863212

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1OC
InChIInChI=1S/C19H18N4O4/c1-26-16-8-7-13(9-17(16)27-2)10-21-22-18(24)11-23-12-20-15-6-4-3-5-14(15)19(23)25/h3-10,12H,11H2,1-2H3,(H,22,24)/b21-10+
InChIKeyBLCPSKJZUBJVIH-UFFVCSGVSA-N
MW366.38 g/mol
LogP1.56
Rot. Bonds6

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 6863212) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID6863212
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1OC
InChIInChI=1S/C19H18N4O4/c1-26-16-8-7-13(9-17(16)27-2)10-21-22-18(24)11-23-12-20-15-6-4-3-5-14(15)19(23)25/h3-10,12H,11H2,1-2H3,(H,22,24)/b21-10+
InChIKeyBLCPSKJZUBJVIH-UFFVCSGVSA-N
XLogP1.56
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide (CID 6863212) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is BLCPSKJZUBJVIH-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-26-16-8-7-13(9-17(16)27-2)10-21-22-18(24)11-23-12-20-15-6-4-3-5-14(15)19(23)25/h3-10,12H,11H2,1-2H3,(H,22,24)/b21-10+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 6863212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).