N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride

C17H17ClFN3O3 — CID 73346038

IUPACN-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3cccc(F)c3)c2c(OC)c1OC.Cl
InChIInChI=1S/C17H16FN3O3.ClH/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11;/h4-9H,1-3H3,(H,19,20,21);1H
InChIKeyTXQJRSXMNVBCOQ-UHFFFAOYSA-N
MW365.79 g/mol
LogP3.96
Rot. Bonds5

About N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride

N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride (PubChem CID 73346038) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride
PubChem CID73346038
Molecular FormulaC17H17ClFN3O3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC NameN-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3cccc(F)c3)c2c(OC)c1OC.Cl
InChIInChI=1S/C17H16FN3O3.ClH/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11;/h4-9H,1-3H3,(H,19,20,21);1H
InChIKeyTXQJRSXMNVBCOQ-UHFFFAOYSA-N
XLogP3.96
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride (CID 73346038) is N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3cccc(F)c3)c2c(OC)c1OC.Cl.
What is the InChIKey of N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is TXQJRSXMNVBCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3.ClH/c1-22-13-8-12-14(16(24-3)15(13)23-2)17(20-9-19-12)21-11-6-4-5-10(18)7-11;/h4-9H,1-3H3,(H,19,20,21);1H.
What are the key properties of N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride?
N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 365.79 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5,6,7-trimethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 73346038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).