N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine

C23H15Cl3N6O — CID 162660776

IUPACN-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine
SMILESClc1cccc(Nc2ncc3cccc(OCc4cn(-c5cc(Cl)cc(Cl)c5)nn4)c3n2)c1
InChIInChI=1S/C23H15Cl3N6O/c24-15-4-2-5-18(8-15)28-23-27-11-14-3-1-6-21(22(14)29-23)33-13-19-12-32(31-30-19)20-9-16(25)7-17(26)10-20/h1-12H,13H2,(H,27,28,29)
InChIKeyMGZCBKDEIVQZCD-UHFFFAOYSA-N
MW497.77 g/mol
LogP6.49
Rot. Bonds6

About N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine

N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine (PubChem CID 162660776) has the molecular formula C23H15Cl3N6O and a molecular weight of 497.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine
PubChem CID162660776
Molecular FormulaC23H15Cl3N6O
Molecular Weight497.77 g/mol
Exact Mass496.04
IUPAC NameN-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine
SMILESClc1cccc(Nc2ncc3cccc(OCc4cn(-c5cc(Cl)cc(Cl)c5)nn4)c3n2)c1
InChIInChI=1S/C23H15Cl3N6O/c24-15-4-2-5-18(8-15)28-23-27-11-14-3-1-6-21(22(14)29-23)33-13-19-12-32(31-30-19)20-9-16(25)7-17(26)10-20/h1-12H,13H2,(H,27,28,29)
InChIKeyMGZCBKDEIVQZCD-UHFFFAOYSA-N
XLogP6.49
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.77
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine (CID 162660776) is N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine is Clc1cccc(Nc2ncc3cccc(OCc4cn(-c5cc(Cl)cc(Cl)c5)nn4)c3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The InChIKey is MGZCBKDEIVQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N6O/c24-15-4-2-5-18(8-15)28-23-27-11-14-3-1-6-21(22(14)29-23)33-13-19-12-32(31-30-19)20-9-16(25)7-17(26)10-20/h1-12H,13H2,(H,27,28,29).
What are the key properties of N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine has a molecular weight of 497.77 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-8-[[1-(3,5-dichlorophenyl)triazol-4-yl]methoxy]quinazolin-2-amine is sourced from PubChem (CID 162660776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).