N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide

C24H22FN5O3 — CID 22581923

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1
InChIInChI=1S/C24H22FN5O3/c25-16-3-5-19-18(14-16)27-23(20-2-1-7-30(19)20)28-8-10-29(11-9-28)24(31)26-17-4-6-21-22(15-17)33-13-12-32-21/h1-7,14-15H,8-13H2,(H,26,31)
InChIKeyWBULFSMRDLJDNB-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.75
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide (PubChem CID 22581923) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide
PubChem CID22581923
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1
InChIInChI=1S/C24H22FN5O3/c25-16-3-5-19-18(14-16)27-23(20-2-1-7-30(19)20)28-8-10-29(11-9-28)24(31)26-17-4-6-21-22(15-17)33-13-12-32-21/h1-7,14-15H,8-13H2,(H,26,31)
InChIKeyWBULFSMRDLJDNB-UHFFFAOYSA-N
XLogP3.75
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 22581892
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 22581912
N-(3-chlorophenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide
CID 22581890
N-(3,4-dimethylphenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
CID 50805088
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 50805291
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 20876985
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-methyl-1,4-diazepane-1-carboxamide
CID 50805320
N-(5-chloro-2-methylphenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide
CID 50805065
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 50805060
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 50805266
(2R)-2-amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-3-hydroxypropan-1-one
CID 44574028
N-(5-chloro-2-methoxyphenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
CID 22581941

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide (CID 22581923) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide?
The InChIKey is WBULFSMRDLJDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c25-16-3-5-19-18(14-16)27-23(20-2-1-7-30(19)20)28-8-10-29(11-9-28)24(31)26-17-4-6-21-22(15-17)33-13-12-32-21/h1-7,14-15H,8-13H2,(H,26,31).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 22581923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).