N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

C23H27N5O3 — CID 57392727

IUPACN-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2c(OC)cccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C23H27N5O3/c1-15-12-16(2)14-17(13-15)27-8-10-28(11-9-27)23(29)26-21-22(31-4)25-20-18(24-21)6-5-7-19(20)30-3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29)
InChIKeyVRTFFFGCJNTVNM-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.62
Rot. Bonds4

About N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 57392727) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID57392727
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2c(OC)cccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C23H27N5O3/c1-15-12-16(2)14-17(13-15)27-8-10-28(11-9-27)23(29)26-21-22(31-4)25-20-18(24-21)6-5-7-19(20)30-3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29)
InChIKeyVRTFFFGCJNTVNM-UHFFFAOYSA-N
XLogP3.62
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Supinoxin
CID 11619093
1-(2-Ethoxyphenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 16023475
7-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
CID 24805873
7-methoxy-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805874
(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
CID 10530740
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(2-methoxyphenyl)piperazine
CID 11509806
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 11625718
1-[(2-Methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 23446362
1-[(2-Methoxy-6-methylquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 52944097
1-[(2,6-Dimethoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 52948333
1-[(3,6-Dimethoxyquinoxalin-2-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 57401424
4-hydroxy-N-(8-methoxy-5-phenylquinoxalin-2-yl)-4-methylpiperidine-1-carboxamide
CID 137532637

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 57392727) is N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is COc1nc2c(OC)cccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is VRTFFFGCJNTVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-12-16(2)14-17(13-15)27-8-10-28(11-9-27)23(29)26-21-22(31-4)25-20-18(24-21)6-5-7-19(20)30-3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29).
What are the key properties of N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 57392727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).