1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol

C19H17Cl2N5O2 — CID 56574406

IUPAC1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol
SMILESCc1nc2c3ccccc3nc(NCC(O)COc3cccc(Cl)c3Cl)n2n1
InChIInChI=1S/C19H17Cl2N5O2/c1-11-23-18-13-5-2-3-7-15(13)24-19(26(18)25-11)22-9-12(27)10-28-16-8-4-6-14(20)17(16)21/h2-8,12,27H,9-10H2,1H3,(H,22,24)
InChIKeyVDAMWAHKLZYLES-UHFFFAOYSA-N
MW418.28 g/mol
LogP3.74
Rot. Bonds6

About 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol

1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol (PubChem CID 56574406) has the molecular formula C19H17Cl2N5O2 and a molecular weight of 418.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol
PubChem CID56574406
Molecular FormulaC19H17Cl2N5O2
Molecular Weight418.28 g/mol
Exact Mass417.08
IUPAC Name1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol
SMILESCc1nc2c3ccccc3nc(NCC(O)COc3cccc(Cl)c3Cl)n2n1
InChIInChI=1S/C19H17Cl2N5O2/c1-11-23-18-13-5-2-3-7-15(13)24-19(26(18)25-11)22-9-12(27)10-28-16-8-4-6-14(20)17(16)21/h2-8,12,27H,9-10H2,1H3,(H,22,24)
InChIKeyVDAMWAHKLZYLES-UHFFFAOYSA-N
XLogP3.74
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol (CID 56574406) is 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol is Cc1nc2c3ccccc3nc(NCC(O)COc3cccc(Cl)c3Cl)n2n1.
What is the InChIKey of 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol?
The InChIKey is VDAMWAHKLZYLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2/c1-11-23-18-13-5-2-3-7-15(13)24-19(26(18)25-11)22-9-12(27)10-28-16-8-4-6-14(20)17(16)21/h2-8,12,27H,9-10H2,1H3,(H,22,24).
What are the key properties of 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol?
1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol has a molecular weight of 418.28 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenoxy)-3-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propan-2-ol is sourced from PubChem (CID 56574406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).