[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone

C21H19ClN4O2 — CID 46259650

IUPAC[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1
InChIInChI=1S/C21H19ClN4O2/c22-15-6-7-17-16(14-15)23-20(18-4-1-10-26(17)18)24-8-3-9-25(12-11-24)21(27)19-5-2-13-28-19/h1-2,4-7,10,13-14H,3,8-9,11-12H2
InChIKeyJLEXSNYJYSRHCS-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.09
Rot. Bonds2

About [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone

[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone (PubChem CID 46259650) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
PubChem CID46259650
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1
InChIInChI=1S/C21H19ClN4O2/c22-15-6-7-17-16(14-15)23-20(18-4-1-10-26(17)18)24-8-3-9-25(12-11-24)21(27)19-5-2-13-28-19/h1-2,4-7,10,13-14H,3,8-9,11-12H2
InChIKeyJLEXSNYJYSRHCS-UHFFFAOYSA-N
XLogP4.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 20877051
N-(3-acetylphenyl)-4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
CID 50805054
[4-(7-chloro-2-cyclopropylquinazolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42809343
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
CID 50805348
[4-(5-chloropyrimidin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 86778300
[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46133830
2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 4642113
N-(5-chloro-2-methoxyphenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carboxamide
CID 22581941
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-methyl-1,4-diazepane-1-carboxamide
CID 50805320
3-chloro-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
CID 27815789
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924

Frequently Asked Questions

What is the IUPAC name of [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone (CID 46259650) is [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCCN(c2nc3cc(Cl)ccc3n3cccc23)CC1.
What is the InChIKey of [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
The InChIKey is JLEXSNYJYSRHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-15-6-7-17-16(14-15)23-20(18-4-1-10-26(17)18)24-8-3-9-25(12-11-24)21(27)19-5-2-13-28-19/h1-2,4-7,10,13-14H,3,8-9,11-12H2.
What are the key properties of [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone?
[4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone has a molecular weight of 394.86 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloropyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 46259650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).