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

C19H18ClN5O — CID 46063247

IUPAC8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCC1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n23)CC1
InChIInChI=1S/C19H18ClN5O/c1-12-6-8-24(9-7-12)19-21-15-11-13(20)4-5-14(15)17-22-23-18(25(17)19)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3
InChIKeyMDHBGERNIOZTDO-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.43
Rot. Bonds2

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

8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 46063247) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID46063247
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCC1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n23)CC1
InChIInChI=1S/C19H18ClN5O/c1-12-6-8-24(9-7-12)19-21-15-11-13(20)4-5-14(15)17-22-23-18(25(17)19)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3
InChIKeyMDHBGERNIOZTDO-UHFFFAOYSA-N
XLogP4.43
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[8-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 46063716
8-chloro-3-(2-methoxyphenyl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864387
[4-[8-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]-(4-methylphenyl)methanone
CID 46164395
[4-[8-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 46164390
4-[8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 46063286
8-chloro-3-(2-chlorophenyl)-5-piperidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063238
5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063233
5-[(3S)-4-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazin-1-yl]-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 92994271
3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 46045350
[(2R)-4-(8-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 92992969
5-(4-benzylpiperidin-1-yl)-8-chloro-3-thiophen-2-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 42864375
(2,6-difluorophenyl)-[4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]methanone
CID 46164497

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline (CID 46063247) is 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline is CC1CCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccco4)n23)CC1.
What is the InChIKey of 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is MDHBGERNIOZTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-6-8-24(9-7-12)19-21-15-11-13(20)4-5-14(15)17-22-23-18(25(17)19)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline?
8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 367.84 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 46063247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).