N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide

C20H25N5O — CID 50805235

IUPACN-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C20H25N5O/c1-15(2)21-20(26)24-11-6-10-23(13-14-24)19-18-9-5-12-25(18)17-8-4-3-7-16(17)22-19/h3-5,7-9,12,15H,6,10-11,13-14H2,1-2H3,(H,21,26)
InChIKeyKAIUQXJXPWFREG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.12
Rot. Bonds2

About N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide

N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide (PubChem CID 50805235) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
PubChem CID50805235
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C20H25N5O/c1-15(2)21-20(26)24-11-6-10-23(13-14-24)19-18-9-5-12-25(18)17-8-4-3-7-16(17)22-19/h3-5,7-9,12,15H,6,10-11,13-14H2,1-2H3,(H,21,26)
InChIKeyKAIUQXJXPWFREG-UHFFFAOYSA-N
XLogP3.12
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
CID 50805257
N-(4-ethoxyphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide
CID 50805256
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-methyl-1,4-diazepane-1-carboxamide
CID 50805320
N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide
CID 50805246
N-(3,4-dimethylphenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
CID 50805088
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 22581892
N-(3-acetylphenyl)-4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
CID 50805054
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide
CID 50805027
2-phenylsulfanyl-1-(4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazin-1-yl)ethanone
CID 46259510
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 20876985
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chloro-2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 50805283
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
CID 50805348

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide (CID 50805235) is N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide is CC(C)NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1.
What is the InChIKey of N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide?
The InChIKey is KAIUQXJXPWFREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15(2)21-20(26)24-11-6-10-23(13-14-24)19-18-9-5-12-25(18)17-8-4-3-7-16(17)22-19/h3-5,7-9,12,15H,6,10-11,13-14H2,1-2H3,(H,21,26).
What are the key properties of N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide?
N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 50805235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).