N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine

C19H20N4O4 — CID 110194361

IUPACN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(OC)c(/C=N/Nc2ncnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C19H20N4O4/c1-24-13-5-6-16(25-2)12(7-13)10-22-23-19-14-8-17(26-3)18(27-4)9-15(14)20-11-21-19/h5-11H,1-4H3,(H,20,21,23)/b22-10+
InChIKeyOHSCVVGJTWUCJU-LSHDLFTRSA-N
MW368.39 g/mol
LogP3.11
Rot. Bonds7

About N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 110194361) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine
PubChem CID110194361
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1ccc(OC)c(/C=N/Nc2ncnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C19H20N4O4/c1-24-13-5-6-16(25-2)12(7-13)10-22-23-19-14-8-17(26-3)18(27-4)9-15(14)20-11-21-19/h5-11H,1-4H3,(H,20,21,23)/b22-10+
InChIKeyOHSCVVGJTWUCJU-LSHDLFTRSA-N
XLogP3.11
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

6,7-dimethoxy-N-(methylideneamino)quinazolin-4-amine
CID 68596713
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
CID 44715025
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5349994
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6511521
6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine
CID 122628730
N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine
CID 71599039
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
1-(2,5-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
CID 10539917
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 6901787
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine (CID 110194361) is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine is COc1ccc(OC)c(/C=N/Nc2ncnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is OHSCVVGJTWUCJU-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-24-13-5-6-16(25-2)12(7-13)10-22-23-19-14-8-17(26-3)18(27-4)9-15(14)20-11-21-19/h5-11H,1-4H3,(H,20,21,23)/b22-10+.
What are the key properties of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine?
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 368.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 110194361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).