4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide

C22H26N6O3 — CID 175252468

IUPAC4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(OC)c(NC(=O)N3CCN(c4ccccc4CN)CC3)nc2c1
InChIInChI=1S/C22H26N6O3/c1-30-16-7-8-17-18(13-16)24-20(21(25-17)31-2)26-22(29)28-11-9-27(10-12-28)19-6-4-3-5-15(19)14-23/h3-8,13H,9-12,14,23H2,1-2H3,(H,24,26,29)
InChIKeySPUMLCGSVQAQFG-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.46
Rot. Bonds5

About 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide

4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 175252468) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID175252468
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1ccc2nc(OC)c(NC(=O)N3CCN(c4ccccc4CN)CC3)nc2c1
InChIInChI=1S/C22H26N6O3/c1-30-16-7-8-17-18(13-16)24-20(21(25-17)31-2)26-22(29)28-11-9-27(10-12-28)19-6-4-3-5-15(19)14-23/h3-8,13H,9-12,14,23H2,1-2H3,(H,24,26,29)
InChIKeySPUMLCGSVQAQFG-UHFFFAOYSA-N
XLogP2.46
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,6-dimethoxyquinoxalin-2-yl)-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 69243942
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244515
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
CID 90770827
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69241684
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 66918089
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide (CID 175252468) is 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is COc1ccc2nc(OC)c(NC(=O)N3CCN(c4ccccc4CN)CC3)nc2c1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is SPUMLCGSVQAQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-30-16-7-8-17-18(13-16)24-20(21(25-17)31-2)26-22(29)28-11-9-27(10-12-28)19-6-4-3-5-15(19)14-23/h3-8,13H,9-12,14,23H2,1-2H3,(H,24,26,29).
What are the key properties of 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide?
4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenyl]-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 175252468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).