2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline

C21H20ClN5 — CID 29095099

IUPAC2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESClc1ccccc1CN1CCC[C@@H](c2nc3c4ccccc4ncn3n2)C1
InChIInChI=1S/C21H20ClN5/c22-18-9-3-1-6-15(18)12-26-11-5-7-16(13-26)20-24-21-17-8-2-4-10-19(17)23-14-27(21)25-20/h1-4,6,8-10,14,16H,5,7,11-13H2/t16-/m1/s1
InChIKeyXDSCYXYUXQYNAV-MRXNPFEDSA-N
MW377.88 g/mol
LogP4.31
Rot. Bonds3

About 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 29095099) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID29095099
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESClc1ccccc1CN1CCC[C@@H](c2nc3c4ccccc4ncn3n2)C1
InChIInChI=1S/C21H20ClN5/c22-18-9-3-1-6-15(18)12-26-11-5-7-16(13-26)20-24-21-17-8-2-4-10-19(17)23-14-27(21)25-20/h1-4,6,8-10,14,16H,5,7,11-13H2/t16-/m1/s1
InChIKeyXDSCYXYUXQYNAV-MRXNPFEDSA-N
XLogP4.31
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline with MolForge

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Related Compounds

2-cyclobutyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 86806672
3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566401
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
(9aS)-2-[(2-chlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738363
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
7-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118472513
4-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
CID 45221993

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 29095099) is 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline is Clc1ccccc1CN1CCC[C@@H](c2nc3c4ccccc4ncn3n2)C1.
What is the InChIKey of 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is XDSCYXYUXQYNAV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20ClN5/c22-18-9-3-1-6-15(18)12-26-11-5-7-16(13-26)20-24-21-17-8-2-4-10-19(17)23-14-27(21)25-20/h1-4,6,8-10,14,16H,5,7,11-13H2/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 377.88 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 29095099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).