N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine

C17H13Cl3N4O — CID 21234889

IUPACN-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
SMILESCOc1ccccc1/C=N/Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12
InChIInChI=1S/C17H13Cl3N4O/c1-25-14-9-5-2-6-11(14)10-21-24-15-12-7-3-4-8-13(12)22-16(23-15)17(18,19)20/h2-10H,1H3,(H,22,23,24)/b21-10+
InChIKeyWOVATYSJQOKYEE-UFFVCSGVSA-N
MW395.68 g/mol
LogP4.91
Rot. Bonds4

About N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine

N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine (PubChem CID 21234889) has the molecular formula C17H13Cl3N4O and a molecular weight of 395.68 g/mol. Its IUPAC name is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
PubChem CID21234889
Molecular FormulaC17H13Cl3N4O
Molecular Weight395.68 g/mol
Exact Mass394.02
IUPAC NameN-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
SMILESCOc1ccccc1/C=N/Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12
InChIInChI=1S/C17H13Cl3N4O/c1-25-14-9-5-2-6-11(14)10-21-24-15-12-7-3-4-8-13(12)22-16(23-15)17(18,19)20/h2-10H,1H3,(H,22,23,24)/b21-10+
InChIKeyWOVATYSJQOKYEE-UFFVCSGVSA-N
XLogP4.91
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697070
3-benzyl-N-[(Z)-(2-methoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 46945272
N-[(4-nitrophenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine
CID 4081353
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135650334
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 8982230
N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
CID 45481473
N-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 135729379
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acridin-9-amine
CID 44715025
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
N-(4-bromophenyl)-2-(trichloromethyl)quinazolin-4-amine
CID 45273444

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine?
The IUPAC name of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine (CID 21234889) is N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine?
The canonical SMILES for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine is COc1ccccc1/C=N/Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12.
What is the InChIKey of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine?
The InChIKey is WOVATYSJQOKYEE-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H13Cl3N4O/c1-25-14-9-5-2-6-11(14)10-21-24-15-12-7-3-4-8-13(12)22-16(23-15)17(18,19)20/h2-10H,1H3,(H,22,23,24)/b21-10+.
What are the key properties of N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine?
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine has a molecular weight of 395.68 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(trichloromethyl)quinazolin-4-amine is sourced from PubChem (CID 21234889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).