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

C24H19ClN6O2 — CID 162654389

IUPACN-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine
SMILESCOc1cccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c1
InChIInChI=1S/C24H19ClN6O2/c1-32-21-9-4-8-20(12-21)31-14-19(29-30-31)15-33-22-10-2-5-16-13-26-24(28-23(16)22)27-18-7-3-6-17(25)11-18/h2-14H,15H2,1H3,(H,26,27,28)
InChIKeyMFQCHZGEEFBQCA-UHFFFAOYSA-N
MW458.91 g/mol
LogP5.20
Rot. Bonds7

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

N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine (PubChem CID 162654389) has the molecular formula C24H19ClN6O2 and a molecular weight of 458.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine
PubChem CID162654389
Molecular FormulaC24H19ClN6O2
Molecular Weight458.91 g/mol
Exact Mass458.13
IUPAC NameN-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine
SMILESCOc1cccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c1
InChIInChI=1S/C24H19ClN6O2/c1-32-21-9-4-8-20(12-21)31-14-19(29-30-31)15-33-22-10-2-5-16-13-26-24(28-23(16)22)27-18-7-3-6-17(25)11-18/h2-14H,15H2,1H3,(H,26,27,28)
InChIKeyMFQCHZGEEFBQCA-UHFFFAOYSA-N
XLogP5.20
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.91
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine (CID 162654389) is N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine is COc1cccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c1.
What is the InChIKey of N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
The InChIKey is MFQCHZGEEFBQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O2/c1-32-21-9-4-8-20(12-21)31-14-19(29-30-31)15-33-22-10-2-5-16-13-26-24(28-23(16)22)27-18-7-3-6-17(25)11-18/h2-14H,15H2,1H3,(H,26,27,28).
What are the key properties of N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine?
N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine has a molecular weight of 458.91 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-8-[[1-(3-methoxyphenyl)triazol-4-yl]methoxy]quinazolin-2-amine is sourced from PubChem (CID 162654389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).