8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline

C22H22ClN5O — CID 42864387

IUPAC8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N3CCC(C)CC3)n12
InChIInChI=1S/C22H22ClN5O/c1-14-9-11-27(12-10-14)22-24-18-13-15(23)7-8-16(18)20-25-26-21(28(20)22)17-5-3-4-6-19(17)29-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyMQAOZAPSPWFRLD-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.84
Rot. Bonds3

About 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline

8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 42864387) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID42864387
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N3CCC(C)CC3)n12
InChIInChI=1S/C22H22ClN5O/c1-14-9-11-27(12-10-14)22-24-18-13-15(23)7-8-16(18)20-25-26-21(28(20)22)17-5-3-4-6-19(17)29-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyMQAOZAPSPWFRLD-UHFFFAOYSA-N
XLogP4.84
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-3-(2-chlorophenyl)-5-piperidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063238
4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 46063286
[4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 46063841
ethyl 1-[8-chloro-3-(2-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperidine-4-carboxylate
CID 42864342
1-[4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-2-methoxyethanone
CID 46063838
1-[(2R)-4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-2-methoxyethanone
CID 98429683
1-[4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 42864737
5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063233
5-(4-methylpiperidin-1-yl)-3-(2-nitrophenyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 46163581
(2-fluorophenyl)-[4-[3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
CID 46064324
[(2S)-4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-phenylmethanone
CID 98432461
1-[4-(8-chloro-3-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-2-methoxyethanone
CID 46063921

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline (CID 42864387) is 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline is COc1ccccc1-c1nnc2c3ccc(Cl)cc3nc(N3CCC(C)CC3)n12.
What is the InChIKey of 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is MQAOZAPSPWFRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-14-9-11-27(12-10-14)22-24-18-13-15(23)7-8-16(18)20-25-26-21(28(20)22)17-5-3-4-6-19(17)29-2/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 407.91 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 42864387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).