4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide

C23H27N5O5 — CID 69244515

IUPAC4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)Nc3nc4cc(OC)c(OC)cc4nc3OC)CC2)c1
InChIInChI=1S/C23H27N5O5/c1-30-16-7-5-6-15(12-16)27-8-10-28(11-9-27)23(29)26-21-22(33-4)25-18-14-20(32-3)19(31-2)13-17(18)24-21/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29)
InChIKeyGEPZVVPLVKZGTG-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.02
Rot. Bonds6

About 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide

4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 69244515) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID69244515
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1cccc(N2CCN(C(=O)Nc3nc4cc(OC)c(OC)cc4nc3OC)CC2)c1
InChIInChI=1S/C23H27N5O5/c1-30-16-7-5-6-15(12-16)27-8-10-28(11-9-27)23(29)26-21-22(33-4)25-18-14-20(32-3)19(31-2)13-17(18)24-21/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29)
InChIKeyGEPZVVPLVKZGTG-UHFFFAOYSA-N
XLogP3.02
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69241684
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 69243942
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 175252468
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 66918089
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (CID 69244515) is 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is COc1cccc(N2CCN(C(=O)Nc3nc4cc(OC)c(OC)cc4nc3OC)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is GEPZVVPLVKZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-30-16-7-5-6-15(12-16)27-8-10-28(11-9-27)23(29)26-21-22(33-4)25-18-14-20(32-3)19(31-2)13-17(18)24-21/h5-7,12-14H,8-11H2,1-4H3,(H,24,26,29).
What are the key properties of 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 69244515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).