N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride

C25H27Cl3N6O3 — CID 66838733

IUPACN-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride
SMILESCCN1CCCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1.Cl
InChIInChI=1S/C25H26Cl2N6O3.ClH/c1-3-33-9-5-4-6-20(33)25-31-23(32-36-25)13-35-22-12-19-16(11-21(22)34-2)24(29-14-28-19)30-15-7-8-17(26)18(27)10-15;/h7-8,10-12,14,20H,3-6,9,13H2,1-2H3,(H,28,29,30);1H
InChIKeyJVRWGFXHNQHDEX-UHFFFAOYSA-N
MW565.89 g/mol
LogP6.62
Rot. Bonds8

About N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride

N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride (PubChem CID 66838733) has the molecular formula C25H27Cl3N6O3 and a molecular weight of 565.89 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride
PubChem CID66838733
Molecular FormulaC25H27Cl3N6O3
Molecular Weight565.89 g/mol
Exact Mass564.12
IUPAC NameN-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride
SMILESCCN1CCCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1.Cl
InChIInChI=1S/C25H26Cl2N6O3.ClH/c1-3-33-9-5-4-6-20(33)25-31-23(32-36-25)13-35-22-12-19-16(11-21(22)34-2)24(29-14-28-19)30-15-7-8-17(26)18(27)10-15;/h7-8,10-12,14,20H,3-6,9,13H2,1-2H3,(H,28,29,30);1H
InChIKeyJVRWGFXHNQHDEX-UHFFFAOYSA-N
XLogP6.62
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.89
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride with MolForge

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Related Compounds

N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70946752
N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70989067
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine
CID 76614830
N-(3-chloro-4-fluorophenyl)-6-[3-[(2R)-2-ethylpiperidin-1-yl]propoxy]-7-methoxyquinazolin-4-amine
CID 72544473
7-[[3-(4-aminobutyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 71085596
N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
CID 70795309
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]quinazolin-4-amine;hydrochloride
CID 66838541
3-[(2S)-1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperidin-2-yl]pentan-3-ol
CID 72544700
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
[(2S)-1-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]pyrrolidin-2-yl]methanol
CID 25252963
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride (CID 66838733) is N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride is CCN1CCCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1.Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride?
The InChIKey is JVRWGFXHNQHDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N6O3.ClH/c1-3-33-9-5-4-6-20(33)25-31-23(32-36-25)13-35-22-12-19-16(11-21(22)34-2)24(29-14-28-19)30-15-7-8-17(26)18(27)10-15;/h7-8,10-12,14,20H,3-6,9,13H2,1-2H3,(H,28,29,30);1H.
What are the key properties of N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride?
N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride has a molecular weight of 565.89 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 66838733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).