3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline

C21H20ClN5 — CID 20874446

IUPAC3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline
SMILESCC1CCN(c2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc23)CC1
InChIInChI=1S/C21H20ClN5/c1-14-10-12-26(13-11-14)20-17-4-2-3-5-18(17)27-21(23-20)19(24-25-27)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3
InChIKeyDIEHEMNYTJLCQS-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.83
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline

3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline (PubChem CID 20874446) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline
PubChem CID20874446
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline
SMILESCC1CCN(c2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc23)CC1
InChIInChI=1S/C21H20ClN5/c1-14-10-12-26(13-11-14)20-17-4-2-3-5-18(17)27-21(23-20)19(24-25-27)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3
InChIKeyDIEHEMNYTJLCQS-UHFFFAOYSA-N
XLogP4.83
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline (CID 20874446) is 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline is CC1CCN(c2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc23)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline?
The InChIKey is DIEHEMNYTJLCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c1-14-10-12-26(13-11-14)20-17-4-2-3-5-18(17)27-21(23-20)19(24-25-27)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline?
3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline has a molecular weight of 377.88 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)triazolo[1,5-a]quinazoline is sourced from PubChem (CID 20874446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).