4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide

C23H24N4O4 — CID 55695804

IUPAC4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-30-19-9-8-17(15-20(19)31-2)22(28)26-11-13-27(14-12-26)23(29)25-18-7-3-5-16-6-4-10-24-21(16)18/h3-10,15H,11-14H2,1-2H3,(H,25,29)
InChIKeyHGFYCCSHLZXTDL-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.24
Rot. Bonds4

About 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide

4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 55695804) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID55695804
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1OC
InChIInChI=1S/C23H24N4O4/c1-30-19-9-8-17(15-20(19)31-2)22(28)26-11-13-27(14-12-26)23(29)25-18-7-3-5-16-6-4-10-24-21(16)18/h3-10,15H,11-14H2,1-2H3,(H,25,29)
InChIKeyHGFYCCSHLZXTDL-UHFFFAOYSA-N
XLogP3.24
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169103
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114157
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
CID 109053846
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
N-[4-[4-(3,4-dimethoxyphenyl)piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 174841950

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide (CID 55695804) is 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)Nc3cccc4cccnc34)CC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is HGFYCCSHLZXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-19-9-8-17(15-20(19)31-2)22(28)26-11-13-27(14-12-26)23(29)25-18-7-3-5-16-6-4-10-24-21(16)18/h3-10,15H,11-14H2,1-2H3,(H,25,29).
What are the key properties of 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 55695804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).