4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide

C25H23N7O2 — CID 46064617

IUPAC4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide
SMILESCC1CN(c2nc3ccccc3c3nnc(-c4ccco4)n23)CCN1C(=O)Nc1ccccc1
InChIInChI=1S/C25H23N7O2/c1-17-16-30(13-14-31(17)25(33)26-18-8-3-2-4-9-18)24-27-20-11-6-5-10-19(20)22-28-29-23(32(22)24)21-12-7-15-34-21/h2-12,15,17H,13-14,16H2,1H3,(H,26,33)
InChIKeyOEMKGWCFMUXVNP-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.28
Rot. Bonds3

About 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide

4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide (PubChem CID 46064617) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide
PubChem CID46064617
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide
SMILESCC1CN(c2nc3ccccc3c3nnc(-c4ccco4)n23)CCN1C(=O)Nc1ccccc1
InChIInChI=1S/C25H23N7O2/c1-17-16-30(13-14-31(17)25(33)26-18-8-3-2-4-9-18)24-27-20-11-6-5-10-19(20)22-28-29-23(32(22)24)21-12-7-15-34-21/h2-12,15,17H,13-14,16H2,1H3,(H,26,33)
InChIKeyOEMKGWCFMUXVNP-UHFFFAOYSA-N
XLogP4.28
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
[(2R)-4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-(4-nitrophenyl)methanone
CID 92993760
2-methyl-1-[(2R)-2-methyl-4-(3-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]propan-1-one
CID 92994057
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-methyl-1-[2-methyl-4-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]propan-1-one
CID 46064111
[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
cyclopentyl-[(2R)-2-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 92993144
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
N-benzyl-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxamide
CID 42864970
[(2R)-2-methyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]-phenylmethanone
CID 92993910
cyclobutyl-[(2S)-2-methyl-4-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl]methanone
CID 92993909
[(2R)-4-[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 92994088

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide (CID 46064617) is 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide is CC1CN(c2nc3ccccc3c3nnc(-c4ccco4)n23)CCN1C(=O)Nc1ccccc1.
What is the InChIKey of 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide?
The InChIKey is OEMKGWCFMUXVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-17-16-30(13-14-31(17)25(33)26-18-8-3-2-4-9-18)24-27-20-11-6-5-10-19(20)22-28-29-23(32(22)24)21-12-7-15-34-21/h2-12,15,17H,13-14,16H2,1H3,(H,26,33).
What are the key properties of 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide?
4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 46064617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).