N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide

C21H22FN5O2 — CID 69244851

IUPACN-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2cc(F)ccc2nc1NC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C21H22FN5O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)21(28)25-19-20(29-2)24-18-13-15(22)6-7-17(18)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28)
InChIKeyXVPLCCRGNLPTBL-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.44
Rot. Bonds3

About N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide

N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 69244851) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID69244851
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCOc1nc2cc(F)ccc2nc1NC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C21H22FN5O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)21(28)25-19-20(29-2)24-18-13-15(22)6-7-17(18)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28)
InChIKeyXVPLCCRGNLPTBL-UHFFFAOYSA-N
XLogP3.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 69243276
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
4-(4-acetylphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 11524654
4-(3,5-dimethoxyphenyl)-N-(3-methoxy-6-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244400
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 66918089
4-(3-methoxyphenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69244515
4-(3-bromophenyl)-N-(3,6,7-trimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69241684
4-(3,5-dimethoxyphenyl)-N-(3,7-dimethoxyquinoxalin-2-yl)piperazine-1-carboxamide
CID 69243350
N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108885668
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
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 N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide (CID 69244851) is N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide is COc1nc2cc(F)ccc2nc1NC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is XVPLCCRGNLPTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)21(28)25-19-20(29-2)24-18-13-15(22)6-7-17(18)23-19/h3-7,12-13H,8-11H2,1-2H3,(H,23,25,28).
What are the key properties of N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 69244851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).