N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

C23H27N5O3 — CID 57401424

IUPACN-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)c(OC)nc2c1
InChIInChI=1S/C23H27N5O3/c1-15-11-16(2)13-17(12-15)27-7-9-28(10-8-27)23(29)26-21-22(31-4)25-20-14-18(30-3)5-6-19(20)24-21/h5-6,11-14H,7-10H2,1-4H3,(H,24,26,29)
InChIKeyQWJAHMQPTCWSIB-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.62
Rot. Bonds4

About N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 57401424) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID57401424
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)c(OC)nc2c1
InChIInChI=1S/C23H27N5O3/c1-15-11-16(2)13-17(12-15)27-7-9-28(10-8-27)23(29)26-21-22(31-4)25-20-14-18(30-3)5-6-19(20)24-21/h5-6,11-14H,7-10H2,1-4H3,(H,24,26,29)
InChIKeyQWJAHMQPTCWSIB-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

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Related Compounds

Supinoxin
CID 11619093
6-[[[4-[(1R)-1-amino-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 46205343
4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one
CID 71543088
4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 137653815
7-Methoxy-4-[2-(methylamino)quinazolin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 137650154
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-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
7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one
CID 71541770
4-hydroxy-N-(8-methoxy-5-phenylquinoxalin-2-yl)-4-methylpiperidine-1-carboxamide
CID 137532637
4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 52943539

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 57401424) is N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is COc1ccc2nc(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)c(OC)nc2c1.
What is the InChIKey of N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is QWJAHMQPTCWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-11-16(2)13-17(12-15)27-7-9-28(10-8-27)23(29)26-21-22(31-4)25-20-14-18(30-3)5-6-19(20)24-21/h5-6,11-14H,7-10H2,1-4H3,(H,24,26,29).
What are the key properties of N-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
N-(3,6-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-(3,6-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 57401424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).