(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone

C24H25N5O3 — CID 55884140

IUPAC(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)c(OC)c1
InChIInChI=1S/C24H25N5O3/c1-16-14-22-25-23(18-6-4-5-7-20(18)29(22)26-16)27-10-12-28(13-11-27)24(30)19-9-8-17(31-2)15-21(19)32-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyPPTOECJBCAPZKU-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.17
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone (PubChem CID 55884140) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone
PubChem CID55884140
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)c(OC)c1
InChIInChI=1S/C24H25N5O3/c1-16-14-22-25-23(18-6-4-5-7-20(18)29(22)26-16)27-10-12-28(13-11-27)24(30)19-9-8-17(31-2)15-21(19)32-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyPPTOECJBCAPZKU-UHFFFAOYSA-N
XLogP3.17
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 55903564
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
4-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55904452
(2,4-dimethoxyphenyl)-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 27477666
[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 41116667
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 55953307

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone (CID 55884140) is (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3nc4cc(C)nn4c4ccccc34)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone?
The InChIKey is PPTOECJBCAPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-14-22-25-23(18-6-4-5-7-20(18)29(22)26-16)27-10-12-28(13-11-27)24(30)19-9-8-17(31-2)15-21(19)32-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55884140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).