4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride

C15H12Cl3FN4O — CID 174765218

IUPAC4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N.Cl
InChIInChI=1S/C15H11Cl2FN4O.ClH/c1-23-12-5-11-7(4-9(12)19)15(21-6-20-11)22-10-3-2-8(16)13(17)14(10)18;/h2-6H,19H2,1H3,(H,20,21,22);1H
InChIKeyWWIKYZZRBZTZLF-UHFFFAOYSA-N
MW389.65 g/mol
LogP4.83
Rot. Bonds3

About 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride

4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride (PubChem CID 174765218) has the molecular formula C15H12Cl3FN4O and a molecular weight of 389.65 g/mol. Its IUPAC name is 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
PubChem CID174765218
Molecular FormulaC15H12Cl3FN4O
Molecular Weight389.65 g/mol
Exact Mass388.01
IUPAC Name4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N.Cl
InChIInChI=1S/C15H11Cl2FN4O.ClH/c1-23-12-5-11-7(4-9(12)19)15(21-6-20-11)22-10-3-2-8(16)13(17)14(10)18;/h2-6H,19H2,1H3,(H,20,21,22);1H
InChIKeyWWIKYZZRBZTZLF-UHFFFAOYSA-N
XLogP4.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.65
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 167424492
[4-chloro-7-(2,2-dimethylpropanoyloxy)quinazolin-6-yl] 2,2-dimethylpropanoate;3,4-dichloro-2-fluoroaniline;[4-(3,4-dichloro-2-fluoroanilino)-7-(2,2-dimethylpropanoyloxy)quinazolin-6-yl] 2,2-dimethylpropanoate
CID 158865047
4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 142692093
[4-(3,4-dichloro-2-fluoroanilino)-6-iodoquinazolin-7-yl] acetate
CID 167487783
7-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201712
2-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 146246283
6-(3-aminocyclobutyl)oxy-4-(3,4-dichloro-2-fluoroanilino)quinazolin-7-ol;hydrochloride
CID 167487622
[4-(3,4-dichloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 86604092
[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclobutyl] N-tert-butylcarbamate
CID 167487515
N-(3,4-dichloro-2-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine;hydrochloride
CID 44542523
N-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclobutyl]but-2-ynamide
CID 167487807

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride?
The IUPAC name of 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride (CID 174765218) is 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride.
What is the SMILES notation for 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride?
The canonical SMILES for 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride is COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1N.Cl.
What is the InChIKey of 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride?
The InChIKey is WWIKYZZRBZTZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN4O.ClH/c1-23-12-5-11-7(4-9(12)19)15(21-6-20-11)22-10-3-2-8(16)13(17)14(10)18;/h2-6H,19H2,1H3,(H,20,21,22);1H.
What are the key properties of 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride?
4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride has a molecular weight of 389.65 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride is sourced from PubChem (CID 174765218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).