3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one

C21H18ClN5O2 — CID 58584725

IUPAC3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
SMILESNc1c(-c2nc3ccccc3[nH]c2=O)[nH]c2cc(Cl)c(C(=O)N3CCCC3)cc12
InChIInChI=1S/C21H18ClN5O2/c22-13-10-16-12(9-11(13)21(29)27-7-3-4-8-27)17(23)18(25-16)19-20(28)26-15-6-2-1-5-14(15)24-19/h1-2,5-6,9-10,25H,3-4,7-8,23H2,(H,26,28)
InChIKeyWVPPKEHPNWBUQY-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.54
Rot. Bonds2

About 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one

3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one (PubChem CID 58584725) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
PubChem CID58584725
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
SMILESNc1c(-c2nc3ccccc3[nH]c2=O)[nH]c2cc(Cl)c(C(=O)N3CCCC3)cc12
InChIInChI=1S/C21H18ClN5O2/c22-13-10-16-12(9-11(13)21(29)27-7-3-4-8-27)17(23)18(25-16)19-20(28)26-15-6-2-1-5-14(15)24-19/h1-2,5-6,9-10,25H,3-4,7-8,23H2,(H,26,28)
InChIKeyWVPPKEHPNWBUQY-UHFFFAOYSA-N
XLogP3.54
TPSA107.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
CID 58585075
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
3-methyl-4-(pyrrolidine-1-carbonyl)-1H-quinolin-2-one
CID 131849523
azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
CID 51122078
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 59534009
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 128903538
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 71827968

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one (CID 58584725) is 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one is Nc1c(-c2nc3ccccc3[nH]c2=O)[nH]c2cc(Cl)c(C(=O)N3CCCC3)cc12.
What is the InChIKey of 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one?
The InChIKey is WVPPKEHPNWBUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c22-13-10-16-12(9-11(13)21(29)27-7-3-4-8-27)17(23)18(25-16)19-20(28)26-15-6-2-1-5-14(15)24-19/h1-2,5-6,9-10,25H,3-4,7-8,23H2,(H,26,28).
What are the key properties of 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one?
3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one has a molecular weight of 407.86 g/mol, XLogP of 3.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 58584725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).