N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine

C24H25ClN6O3 — CID 70989067

IUPACN-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OCc1noc(C2CCCNC2)n1
InChIInChI=1S/C24H25ClN6O3/c1-14-8-16(5-6-18(14)25)29-23-17-9-20(32-2)21(10-19(17)27-13-28-23)33-12-22-30-24(34-31-22)15-4-3-7-26-11-15/h5-6,8-10,13,15,26H,3-4,7,11-12H2,1-2H3,(H,27,28,29)
InChIKeyMXBSDPOWQJUZMK-UHFFFAOYSA-N
MW480.96 g/mol
LogP4.77
Rot. Bonds7

About N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine

N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine (PubChem CID 70989067) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
PubChem CID70989067
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC NameN-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OCc1noc(C2CCCNC2)n1
InChIInChI=1S/C24H25ClN6O3/c1-14-8-16(5-6-18(14)25)29-23-17-9-20(32-2)21(10-19(17)27-13-28-23)33-12-22-30-24(34-31-22)15-4-3-7-26-11-15/h5-6,8-10,13,15,26H,3-4,7,11-12H2,1-2H3,(H,27,28,29)
InChIKeyMXBSDPOWQJUZMK-UHFFFAOYSA-N
XLogP4.77
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-(3,4-dichlorophenyl)-7-[[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]-6-methoxyquinazolin-4-amine;hydrochloride
CID 66838733
N-(3,4-dichlorophenyl)-6-methoxy-7-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]quinazolin-4-amine
CID 76614830
N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 70989079
N-(3-chloro-4-methylphenyl)-6-methoxy-7-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
CID 70946712
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142674982
7-[[3-(4-aminobutyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 71085596
7-[[(8aR)-1,3,5,6,8,8a-hexahydro-[1,3]thiazolo[4,3-c][1,4]oxazin-6-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 58013770
7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane
CID 142852302
4-[2-[[4-(4-chloro-3-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,4-oxazepan-4-yl]butan-1-ol
CID 142852291
7-methoxy-6-(morpholin-2-ylmethoxy)-N-(4-propylphenyl)quinazolin-4-amine
CID 142675011

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine?
The IUPAC name of N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine (CID 70989067) is N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OCc1noc(C2CCCNC2)n1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine?
The InChIKey is MXBSDPOWQJUZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-14-8-16(5-6-18(14)25)29-23-17-9-20(32-2)21(10-19(17)27-13-28-23)33-12-22-30-24(34-31-22)15-4-3-7-26-11-15/h5-6,8-10,13,15,26H,3-4,7,11-12H2,1-2H3,(H,27,28,29).
What are the key properties of N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine?
N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine has a molecular weight of 480.96 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 70989067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).