2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide

C22H18N4O4 — CID 17440269

IUPAC2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)Nc1cccc2ncccc12
InChIInChI=1S/C22H18N4O4/c27-19(24-17-8-3-7-16-14(17)5-4-11-23-16)13-26-20(28)22(25-21(26)29)10-12-30-18-9-2-1-6-15(18)22/h1-9,11H,10,12-13H2,(H,24,27)(H,25,29)
InChIKeyBTJOMAOLJNFRTM-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.40
Rot. Bonds3

About 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide (PubChem CID 17440269) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide
PubChem CID17440269
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)Nc1cccc2ncccc12
InChIInChI=1S/C22H18N4O4/c27-19(24-17-8-3-7-16-14(17)5-4-11-23-16)13-26-20(28)22(25-21(26)29)10-12-30-18-9-2-1-6-15(18)22/h1-9,11H,10,12-13H2,(H,24,27)(H,25,29)
InChIKeyBTJOMAOLJNFRTM-UHFFFAOYSA-N
XLogP2.40
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 42051814
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 40791521
N-(2,4-dibromophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 25361402
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2459892
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40791325
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9440312
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-methylhexan-2-yl)acetamide
CID 17435318
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 40798867
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442760
3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 3527073

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide (CID 17440269) is 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide is O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide?
The InChIKey is BTJOMAOLJNFRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c27-19(24-17-8-3-7-16-14(17)5-4-11-23-16)13-26-20(28)22(25-21(26)29)10-12-30-18-9-2-1-6-15(18)22/h1-9,11H,10,12-13H2,(H,24,27)(H,25,29).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide?
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide has a molecular weight of 402.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 17440269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).