(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

C22H23N3O4 — CID 157325136

IUPAC(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1
InChIInChI=1S/C22H23N3O4/c26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t14-/m0/s1
InChIKeyNXIHQYGDVJQAAA-AWEZNQCLSA-N
MW393.44 g/mol
LogP2.98
Rot. Bonds5

About (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (PubChem CID 157325136) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
PubChem CID157325136
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1
InChIInChI=1S/C22H23N3O4/c26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t14-/m0/s1
InChIKeyNXIHQYGDVJQAAA-AWEZNQCLSA-N
XLogP2.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 903397
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CID 2420130
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CID 3237525
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CID 4447963
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CID 20853842
CID 20853842
CID 2361912
CID 2361912
CID 24980908
CID 24980908
CID 24991915
CID 24991915
CID 2496712
CID 2496712
CID 2333725
CID 2333725
CID 3237492
CID 3237492
CID 3237608
CID 3237608

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (CID 157325136) is (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is O=C1CC[C@@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1.
What is the InChIKey of (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The InChIKey is NXIHQYGDVJQAAA-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t14-/m0/s1.
What are the key properties of (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione has a molecular weight of 393.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 157325136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).