1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one

C24H23N3O4 — CID 112844314

IUPAC1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC23CCN(C(=O)c2ccoc2)CC3)cc1
InChIInChI=1S/C24H23N3O4/c1-30-19-8-6-18(7-9-19)27-23(29)20-4-2-3-5-21(20)25-24(27)11-13-26(14-12-24)22(28)17-10-15-31-16-17/h2-10,15-16,25H,11-14H2,1H3
InChIKeyAYIRMJZEXIWXIN-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.99
Rot. Bonds3

About 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one

1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 112844314) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one
PubChem CID112844314
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one
SMILESCOc1ccc(N2C(=O)c3ccccc3NC23CCN(C(=O)c2ccoc2)CC3)cc1
InChIInChI=1S/C24H23N3O4/c1-30-19-8-6-18(7-9-19)27-23(29)20-4-2-3-5-21(20)25-24(27)11-13-26(14-12-24)22(28)17-10-15-31-16-17/h2-10,15-16,25H,11-14H2,1H3
InChIKeyAYIRMJZEXIWXIN-UHFFFAOYSA-N
XLogP3.99
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1'-(naphthalen-1-ylmethyl)spiro[1H-quinazoline-2,3'-azetidine]-4-one
CID 90317156
1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 71878002
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
CID 67568356
[4-[2-(4-methoxyphenyl)-3,3'-dioxo-1,1'-spirobi[isoindole]-2'-yl]phenyl] acetate
CID 89397450
(1'R,2S,5'S)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,7'-bicyclo[3.2.0]hept-2-ene]-4-one
CID 2094087
4-(4-methoxyphenyl)-8-(naphthalene-2-carbonyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112907
(2S)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51963839
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51963840
8-(4-methoxybenzoyl)-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923811
2-(2-chlorophenyl)-8-(furan-3-carbonyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
CID 91890990
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
8-benzoyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911554

Frequently Asked Questions

What is the IUPAC name of 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one (CID 112844314) is 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one is COc1ccc(N2C(=O)c3ccccc3NC23CCN(C(=O)c2ccoc2)CC3)cc1.
What is the InChIKey of 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is AYIRMJZEXIWXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-19-8-6-18(7-9-19)27-23(29)20-4-2-3-5-21(20)25-24(27)11-13-26(14-12-24)22(28)17-10-15-31-16-17/h2-10,15-16,25H,11-14H2,1H3.
What are the key properties of 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one?
1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 417.47 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 112844314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).