1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C23H21N3O4 — CID 90586258

IUPAC1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)Oc2ccccc21
InChIInChI=1S/C23H21N3O4/c27-19-13-23(30-20-8-4-2-6-17(19)20)10-12-25(14-23)21(28)9-11-26-15-24-18-7-3-1-5-16(18)22(26)29/h1-8,15H,9-14H2
InChIKeyRCPVIDMXSMUSPY-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.42
Rot. Bonds3

About 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 90586258) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID90586258
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)Oc2ccccc21
InChIInChI=1S/C23H21N3O4/c27-19-13-23(30-20-8-4-2-6-17(19)20)10-12-25(14-23)21(28)9-11-26-15-24-18-7-3-1-5-16(18)22(26)29/h1-8,15H,9-14H2
InChIKeyRCPVIDMXSMUSPY-UHFFFAOYSA-N
XLogP2.42
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 91777595
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
CID 95201784
1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734281
1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164695858
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
N,N-diethyl-4-hydroxy-1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidine-4-carboxamide;formic acid
CID 171339222
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 99953645
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
1'-[3-(3,4-dimethylphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586185

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 90586258) is 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(C(=O)CCn3cnc4ccccc4c3=O)C2)Oc2ccccc21.
What is the InChIKey of 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is RCPVIDMXSMUSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-19-13-23(30-20-8-4-2-6-17(19)20)10-12-25(14-23)21(28)9-11-26-15-24-18-7-3-1-5-16(18)22(26)29/h1-8,15H,9-14H2.
What are the key properties of 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 403.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 90586258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).