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

C20H21Cl2FN4O2 — CID 68906665

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC1CCNCC1.Cl
InChIInChI=1S/C20H20ClFN4O2.ClH/c1-27-18-9-14-17(10-19(18)28-13-4-6-23-7-5-13)24-11-25-20(14)26-16-3-2-12(21)8-15(16)22;/h2-3,8-11,13,23H,4-7H2,1H3,(H,24,25,26);1H
InChIKeyZQLNPUVRLYAVFZ-UHFFFAOYSA-N
MW439.32 g/mol
LogP4.73
Rot. Bonds5

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

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride (PubChem CID 68906665) has the molecular formula C20H21Cl2FN4O2 and a molecular weight of 439.32 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
PubChem CID68906665
Molecular FormulaC20H21Cl2FN4O2
Molecular Weight439.32 g/mol
Exact Mass438.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC1CCNCC1.Cl
InChIInChI=1S/C20H20ClFN4O2.ClH/c1-27-18-9-14-17(10-19(18)28-13-4-6-23-7-5-13)24-11-25-20(14)26-16-3-2-12(21)8-15(16)22;/h2-3,8-11,13,23H,4-7H2,1H3,(H,24,25,26);1H
InChIKeyZQLNPUVRLYAVFZ-UHFFFAOYSA-N
XLogP4.73
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride with MolForge

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Related Compounds

7-[[(3aS,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 58617011
N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
CID 68750156
6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]oxy]-N-(3-chloro-2,4-difluorophenyl)-7-methoxyquinazolin-4-amine
CID 174819906
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
CID 167487925
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 66874998
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 67314954
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329
N-(3,4-dichloro-2-fluorophenyl)-7-(difluoromethoxy)-6-piperidin-4-yloxyquinazolin-4-amine
CID 155669690
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
4-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxamide
CID 142760923

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride (CID 68906665) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC1CCNCC1.Cl.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride?
The InChIKey is ZQLNPUVRLYAVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2.ClH/c1-27-18-9-14-17(10-19(18)28-13-4-6-23-7-5-13)24-11-25-20(14)26-16-3-2-12(21)8-15(16)22;/h2-3,8-11,13,23H,4-7H2,1H3,(H,24,25,26);1H.
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride has a molecular weight of 439.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 68906665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).