2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine

C15H10Cl3N3O — CID 140501524

IUPAC2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine
SMILESCOc1nc(Nc2cc(Cl)c(Cl)c(Cl)c2)c2ccccc2n1
InChIInChI=1S/C15H10Cl3N3O/c1-22-15-20-12-5-3-2-4-9(12)14(21-15)19-8-6-10(16)13(18)11(17)7-8/h2-7H,1H3,(H,19,20,21)
InChIKeyUNYMLASVQNLGMZ-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.34
Rot. Bonds3

About 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine

2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine (PubChem CID 140501524) has the molecular formula C15H10Cl3N3O and a molecular weight of 354.62 g/mol. Its IUPAC name is 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine
PubChem CID140501524
Molecular FormulaC15H10Cl3N3O
Molecular Weight354.62 g/mol
Exact Mass352.99
IUPAC Name2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine
SMILESCOc1nc(Nc2cc(Cl)c(Cl)c(Cl)c2)c2ccccc2n1
InChIInChI=1S/C15H10Cl3N3O/c1-22-15-20-12-5-3-2-4-9(12)14(21-15)19-8-6-10(16)13(18)11(17)7-8/h2-7H,1H3,(H,19,20,21)
InChIKeyUNYMLASVQNLGMZ-UHFFFAOYSA-N
XLogP5.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
CID 22330512
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
2,4-dimethoxyquinazoline;hydrate;hydrochloride
CID 157300135
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine?
The IUPAC name of 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine (CID 140501524) is 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine is COc1nc(Nc2cc(Cl)c(Cl)c(Cl)c2)c2ccccc2n1.
What is the InChIKey of 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine?
The InChIKey is UNYMLASVQNLGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3O/c1-22-15-20-12-5-3-2-4-9(12)14(21-15)19-8-6-10(16)13(18)11(17)7-8/h2-7H,1H3,(H,19,20,21).
What are the key properties of 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine?
2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine has a molecular weight of 354.62 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3,4,5-trichlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 140501524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).