N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide

C22H24ClN5O4 — CID 52943473

IUPACN-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(Cl)ccc4nc3OC)CC2)c1
InChIInChI=1S/C22H24ClN5O4/c1-30-16-11-15(12-17(13-16)31-2)27-6-8-28(9-7-27)22(29)26-20-21(32-3)25-18-5-4-14(23)10-19(18)24-20/h4-5,10-13H,6-9H2,1-3H3,(H,24,26,29)
InChIKeyPHCMNJCIRQRUOW-UHFFFAOYSA-N
MW457.92 g/mol
LogP3.66
Rot. Bonds5

About N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide

N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 52943473) has the molecular formula C22H24ClN5O4 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID52943473
Molecular FormulaC22H24ClN5O4
Molecular Weight457.92 g/mol
Exact Mass457.15
IUPAC NameN-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(Cl)ccc4nc3OC)CC2)c1
InChIInChI=1S/C22H24ClN5O4/c1-30-16-11-15(12-17(13-16)31-2)27-6-8-28(9-7-27)22(29)26-20-21(32-3)25-18-5-4-14(23)10-19(18)24-20/h4-5,10-13H,6-9H2,1-3H3,(H,24,26,29)
InChIKeyPHCMNJCIRQRUOW-UHFFFAOYSA-N
XLogP3.66
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Supinoxin
CID 11619093
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
4-(3,5-dimethoxyphenyl)-N-(3,8-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 52943539
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-8-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 52949646
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-5-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 57390930
4-(3,5-dimethoxyphenyl)-N-(3,5-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 57394450
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,4,5-trimethoxyphenyl)piperazine
CID 11540072
1-[(2,6-Dimethoxyquinoxalin-3-yl)aminocarbonyl]-4-(2-fluorophenyl)piperazine
CID 66918153
1-[(6-Fluoro-3-methoxyquinoxalin-2-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 69240416
1-[(6,7-Difluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 69240969
1-[(6-Fluoro-3-methoxyquinoxalin-2-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
CID 69243495

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide (CID 52943473) is N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide is COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(Cl)ccc4nc3OC)CC2)c1.
What is the InChIKey of N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is PHCMNJCIRQRUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O4/c1-30-16-11-15(12-17(13-16)31-2)27-6-8-28(9-7-27)22(29)26-20-21(32-3)25-18-5-4-14(23)10-19(18)24-20/h4-5,10-13H,6-9H2,1-3H3,(H,24,26,29).
What are the key properties of N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(3,5-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 52943473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).