3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline

C25H24N6O — CID 46045350

IUPAC3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cccc(CN2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n34)CC2)c1
InChIInChI=1S/C25H24N6O/c1-18-6-4-7-19(16-18)17-29-11-13-30(14-12-29)25-26-21-9-3-2-8-20(21)23-27-28-24(31(23)25)22-10-5-15-32-22/h2-10,15-16H,11-14,17H2,1H3
InChIKeyDNOUDYKDXFRQFT-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.17
Rot. Bonds4

About 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline

3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 46045350) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID46045350
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cccc(CN2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n34)CC2)c1
InChIInChI=1S/C25H24N6O/c1-18-6-4-7-19(16-18)17-29-11-13-30(14-12-29)25-26-21-9-3-2-8-20(21)23-27-28-24(31(23)25)22-10-5-15-32-22/h2-10,15-16H,11-14,17H2,1H3
InChIKeyDNOUDYKDXFRQFT-UHFFFAOYSA-N
XLogP4.17
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-fluorophenyl)-[4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl]methanone
CID 46045057
8-chloro-3-(furan-2-yl)-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063247
3-(furan-2-yl)-5-[(3S)-3-methyl-4-[(2-nitrophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 92994273
(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
4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 46064617
2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 50755280
(2S,6R)-2,6-dimethyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
CID 93329272
[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
4-[2-[[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]ethyl]morpholine
CID 50755180
3-(4-chlorophenyl)-5-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 42865083
3-benzyl-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 42865043

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline (CID 46045350) is 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline is Cc1cccc(CN2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n34)CC2)c1.
What is the InChIKey of 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is DNOUDYKDXFRQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-18-6-4-7-19(16-18)17-29-11-13-30(14-12-29)25-26-21-9-3-2-8-20(21)23-27-28-24(31(23)25)22-10-5-15-32-22/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline?
3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 424.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 46045350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).