2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride

C16H16ClFN4O2 — CID 24762052

IUPAC2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride
SMILESCOc1cc2nc(Nc3ccc(F)cc3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C16H15FN4O2.ClH/c1-22-13-7-11-12(8-14(13)23-2)20-16(21-15(11)18)19-10-5-3-9(17)4-6-10;/h3-8H,1-2H3,(H3,18,19,20,21);1H
InChIKeyGHTPRDGBFZAFEK-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.53
Rot. Bonds4

About 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride

2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride (PubChem CID 24762052) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride
PubChem CID24762052
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride
SMILESCOc1cc2nc(Nc3ccc(F)cc3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C16H15FN4O2.ClH/c1-22-13-7-11-12(8-14(13)23-2)20-16(21-15(11)18)19-10-5-3-9(17)4-6-10;/h3-8H,1-2H3,(H3,18,19,20,21);1H
InChIKeyGHTPRDGBFZAFEK-UHFFFAOYSA-N
XLogP3.53
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 176870
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Erlotinib Hydrochloride
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N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Tandutinib
CID 3038522
Bunazosin
CID 2472
PD-153035
CID 4705
Icotinib
CID 22024915
2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
CID 616267
2-Chloro-6,7-dimethoxy-4-quinazolinamine
CID 90235
Abanoquil
CID 164089

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride (CID 24762052) is 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride is COc1cc2nc(Nc3ccc(F)cc3)nc(N)c2cc1OC.Cl.
What is the InChIKey of 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride?
The InChIKey is GHTPRDGBFZAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2.ClH/c1-22-13-7-11-12(8-14(13)23-2)20-16(21-15(11)18)19-10-5-3-9(17)4-6-10;/h3-8H,1-2H3,(H3,18,19,20,21);1H.
What are the key properties of 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride?
2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride has a molecular weight of 350.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 24762052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).