[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

C24H25N3O6 — CID 3274641

IUPAC[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCN2C(=O)c2cc(OC)c3ccccc3n2)c(OC)c1OC
InChIInChI=1S/C24H25N3O6/c1-30-19-11-10-16(21(32-3)22(19)33-4)23(28)26-12-7-13-27(26)24(29)18-14-20(31-2)15-8-5-6-9-17(15)25-18/h5-6,8-11,14H,7,12-13H2,1-4H3
InChIKeyBMPLAKTVKNEHHJ-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.17
Rot. Bonds6

About [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 3274641) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID3274641
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCN2C(=O)c2cc(OC)c3ccccc3n2)c(OC)c1OC
InChIInChI=1S/C24H25N3O6/c1-30-19-11-10-16(21(32-3)22(19)33-4)23(28)26-12-7-13-27(26)24(29)18-14-20(31-2)15-8-5-6-9-17(15)25-18/h5-6,8-11,14H,7,12-13H2,1-4H3
InChIKeyBMPLAKTVKNEHHJ-UHFFFAOYSA-N
XLogP3.17
TPSA90.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 3274641) is [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCCN2C(=O)c2cc(OC)c3ccccc3n2)c(OC)c1OC.
What is the InChIKey of [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is BMPLAKTVKNEHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-30-19-11-10-16(21(32-3)22(19)33-4)23(28)26-12-7-13-27(26)24(29)18-14-20(31-2)15-8-5-6-9-17(15)25-18/h5-6,8-11,14H,7,12-13H2,1-4H3.
What are the key properties of [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone?
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 451.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 3274641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).