N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride

C20H20Cl3FN4O2 — CID 167487925

IUPACN-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCCNC1.Cl
InChIInChI=1S/C20H19Cl2FN4O2.ClH/c1-28-16-8-15-12(7-17(16)29-11-3-2-6-24-9-11)20(26-10-25-15)27-14-5-4-13(21)18(22)19(14)23;/h4-5,7-8,10-11,24H,2-3,6,9H2,1H3,(H,25,26,27);1H
InChIKeyVEYGWUULGAQFEO-UHFFFAOYSA-N
MW473.76 g/mol
LogP5.38
Rot. Bonds5

About N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride

N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride (PubChem CID 167487925) has the molecular formula C20H20Cl3FN4O2 and a molecular weight of 473.76 g/mol. Its IUPAC name is N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
PubChem CID167487925
Molecular FormulaC20H20Cl3FN4O2
Molecular Weight473.76 g/mol
Exact Mass472.06
IUPAC NameN-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCCNC1.Cl
InChIInChI=1S/C20H19Cl2FN4O2.ClH/c1-28-16-8-15-12(7-17(16)29-11-3-2-6-24-9-11)20(26-10-25-15)27-14-5-4-13(21)18(22)19(14)23;/h4-5,7-8,10-11,24H,2-3,6,9H2,1H3,(H,25,26,27);1H
InChIKeyVEYGWUULGAQFEO-UHFFFAOYSA-N
XLogP5.38
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.76
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
CID 68750156
N-(3,4-dichloro-2-fluorophenyl)-7-(difluoromethoxy)-6-piperidin-4-yloxyquinazolin-4-amine
CID 155669690
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
4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
CID 174765218
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
(E)-3-chloro-1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25124396
sodium 1-[4-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 54767761
[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclobutyl] N-tert-butylcarbamate
CID 167487515
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine
CID 155669681
N-[3-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclobutyl]but-2-ynamide
CID 167487807
6-(4-aminocyclohexyl)oxy-N-(3-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 25017541

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride (CID 167487925) is N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCCNC1.Cl.
What is the InChIKey of N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride?
The InChIKey is VEYGWUULGAQFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN4O2.ClH/c1-28-16-8-15-12(7-17(16)29-11-3-2-6-24-9-11)20(26-10-25-15)27-14-5-4-13(21)18(22)19(14)23;/h4-5,7-8,10-11,24H,2-3,6,9H2,1H3,(H,25,26,27);1H.
What are the key properties of N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride?
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride has a molecular weight of 473.76 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-3-yloxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 167487925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).