4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide

C22H24N4O3 — CID 113114017

IUPAC4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-28-17-8-9-19(20(15-17)29-2)25-11-13-26(14-12-25)22(27)24-18-7-3-5-16-6-4-10-23-21(16)18/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyRDSPBTINRDUBSE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.61
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide

4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113114017) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113114017
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-28-17-8-9-19(20(15-17)29-2)25-11-13-26(14-12-25)22(27)24-18-7-3-5-16-6-4-10-23-21(16)18/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyRDSPBTINRDUBSE-UHFFFAOYSA-N
XLogP3.61
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804
N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113113082
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
methyl 3-[[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4585188
4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114157
4-(2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 3338318
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(quinolin-8-ylamino)propan-1-one
CID 109029505
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
4-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108600

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide (CID 113114017) is 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3cccc4cccnc34)CC2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is RDSPBTINRDUBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-17-8-9-19(20(15-17)29-2)25-11-13-26(14-12-25)22(27)24-18-7-3-5-16-6-4-10-23-21(16)18/h3-10,15H,11-14H2,1-2H3,(H,24,27).
What are the key properties of 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide?
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113114017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).