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

C18H19N3O3 — CID 71878002

IUPAC1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one
SMILESCN1C(=O)c2ccccc2NC12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C18H19N3O3/c1-20-16(22)13-5-2-3-6-14(13)19-18(20)8-10-21(11-9-18)17(23)15-7-4-12-24-15/h2-7,12,19H,8-11H2,1H3
InChIKeyQENXYNBSMPWJPO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.41
Rot. Bonds1

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

1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 71878002) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one
PubChem CID71878002
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one
SMILESCN1C(=O)c2ccccc2NC12CCN(C(=O)c1ccco1)CC2
InChIInChI=1S/C18H19N3O3/c1-20-16(22)13-5-2-3-6-14(13)19-18(20)8-10-21(11-9-18)17(23)15-7-4-12-24-15/h2-7,12,19H,8-11H2,1H3
InChIKeyQENXYNBSMPWJPO-UHFFFAOYSA-N
XLogP2.41
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(furan-2-yl)methanone
CID 2225250
5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716812
1'-(furan-3-carbonyl)-3-(4-methoxyphenyl)spiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 112844314
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110807785
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150

Frequently Asked Questions

What is the IUPAC name of 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one (CID 71878002) is 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one is CN1C(=O)c2ccccc2NC12CCN(C(=O)c1ccco1)CC2.
What is the InChIKey of 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is QENXYNBSMPWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-20-16(22)13-5-2-3-6-14(13)19-18(20)8-10-21(11-9-18)17(23)15-7-4-12-24-15/h2-7,12,19H,8-11H2,1H3.
What are the key properties of 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 325.37 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 71878002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).