N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine

C22H26N4O3 — CID 71599039

IUPACN-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(N/N=C/c3ccc(C(C)(C)C)cc3)c2c(OC)c1OC
InChIInChI=1S/C22H26N4O3/c1-22(2,3)15-9-7-14(8-10-15)12-25-26-21-18-16(23-13-24-21)11-17(27-4)19(28-5)20(18)29-6/h7-13H,1-6H3,(H,23,24,26)/b25-12+
InChIKeyDKXYYVWUGGGDDF-BRJLIKDPSA-N
MW394.48 g/mol
LogP4.40
Rot. Bonds6

About N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine

N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine (PubChem CID 71599039) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine
PubChem CID71599039
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(N/N=C/c3ccc(C(C)(C)C)cc3)c2c(OC)c1OC
InChIInChI=1S/C22H26N4O3/c1-22(2,3)15-9-7-14(8-10-15)12-25-26-21-18-16(23-13-24-21)11-17(27-4)19(28-5)20(18)29-6/h7-13H,1-6H3,(H,23,24,26)/b25-12+
InChIKeyDKXYYVWUGGGDDF-BRJLIKDPSA-N
XLogP4.40
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.40
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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Related Compounds

4-tert-butyl-5,6,7-trimethoxyquinazoline
CID 170974305
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-6,7-dimethoxyquinazolin-4-amine
CID 110194361
N-[[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4662120
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
(6R)-6-(2-methylbutan-2-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 92879112
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508917
2,3-dimethoxy-5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 72636247
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
methyl 4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 46227453
methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 75178783
2-(4-tert-butylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898637
N-[(4-tert-butylphenyl)methylideneamino]-7-chloroquinolin-4-amine
CID 4172043

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine?
The IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine (CID 71599039) is N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine?
The canonical SMILES for N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine is COc1cc2ncnc(N/N=C/c3ccc(C(C)(C)C)cc3)c2c(OC)c1OC.
What is the InChIKey of N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine?
The InChIKey is DKXYYVWUGGGDDF-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-22(2,3)15-9-7-14(8-10-15)12-25-26-21-18-16(23-13-24-21)11-17(27-4)19(28-5)20(18)29-6/h7-13H,1-6H3,(H,23,24,26)/b25-12+.
What are the key properties of N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine?
N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-tert-butylphenyl)methylideneamino]-5,6,7-trimethoxyquinazolin-4-amine is sourced from PubChem (CID 71599039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).