N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride

C22H18Cl2FN3O2 — CID 22478265

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccccc1.Cl
InChIInChI=1S/C22H17ClFN3O2.ClH/c1-28-20-10-16-19(11-21(20)29-12-14-5-3-2-4-6-14)25-13-26-22(16)27-18-8-7-15(23)9-17(18)24;/h2-11,13H,12H2,1H3,(H,25,26,27);1H
InChIKeyJOHNIYZRJXDVBV-UHFFFAOYSA-N
MW446.31 g/mol
LogP6.18
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride (PubChem CID 22478265) has the molecular formula C22H18Cl2FN3O2 and a molecular weight of 446.31 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
PubChem CID22478265
Molecular FormulaC22H18Cl2FN3O2
Molecular Weight446.31 g/mol
Exact Mass445.08
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccccc1.Cl
InChIInChI=1S/C22H17ClFN3O2.ClH/c1-28-20-10-16-19(11-21(20)29-12-14-5-3-2-4-6-14)25-13-26-22(16)27-18-8-7-15(23)9-17(18)24;/h2-11,13H,12H2,1H3,(H,25,26,27);1H
InChIKeyJOHNIYZRJXDVBV-UHFFFAOYSA-N
XLogP6.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.31
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[(2-methyl-4-pyridinyl)methoxy]quinazolin-4-amine
CID 22625056
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
N-(4-chloro-2-fluorophenyl)-7-(2-ethylsulfonylethoxy)-6-methoxyquinazolin-4-amine
CID 18753444
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
[4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenyl] methyl carbonate
CID 22624931
N-(4-chloro-2-fluorophenyl)-7-[2-(2,5-dimethylimidazol-1-yl)ethoxy]-6-methoxyquinazolin-4-amine;hydrochloride
CID 22625051
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-[methyl-(6-methylpyrimidin-4-yl)amino]ethoxy]quinazolin-4-amine;hydrochloride
CID 22624940
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride (CID 22478265) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccccc1.Cl.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is JOHNIYZRJXDVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2.ClH/c1-28-20-10-16-19(11-21(20)29-12-14-5-3-2-4-6-14)25-13-26-22(16)27-18-8-7-15(23)9-17(18)24;/h2-11,13H,12H2,1H3,(H,25,26,27);1H.
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 446.31 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 22478265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).