1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one

C14H19N3O — CID 53337683

IUPAC1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCCN1c2ccccc2C(=O)NC12CCNCC2
InChIInChI=1S/C14H19N3O/c1-2-17-12-6-4-3-5-11(12)13(18)16-14(17)7-9-15-10-8-14/h3-6,15H,2,7-10H2,1H3,(H,16,18)
InChIKeyLYUGGDCKUPNJAT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.34
Rot. Bonds1

About 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one

1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 53337683) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
PubChem CID53337683
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCCN1c2ccccc2C(=O)NC12CCNCC2
InChIInChI=1S/C14H19N3O/c1-2-17-12-6-4-3-5-11(12)13(18)16-14(17)7-9-15-10-8-14/h3-6,15H,2,7-10H2,1H3,(H,16,18)
InChIKeyLYUGGDCKUPNJAT-UHFFFAOYSA-N
XLogP1.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one (CID 53337683) is 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one is CCN1c2ccccc2C(=O)NC12CCNCC2.
What is the InChIKey of 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is LYUGGDCKUPNJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17-12-6-4-3-5-11(12)13(18)16-14(17)7-9-15-10-8-14/h3-6,15H,2,7-10H2,1H3,(H,16,18).
What are the key properties of 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 53337683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).