1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C14H15Cl2N3O2 — CID 46169511

IUPAC1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCC(=O)N1CCC2(CC1)NC(=O)c1c(ccc(Cl)c1Cl)N2
InChIInChI=1S/C14H15Cl2N3O2/c1-8(20)19-6-4-14(5-7-19)17-10-3-2-9(15)12(16)11(10)13(21)18-14/h2-3,17H,4-7H2,1H3,(H,18,21)
InChIKeyMHNRVEIRYCHBLI-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.49
Rot. Bonds

About 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46169511) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46169511
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCC(=O)N1CCC2(CC1)NC(=O)c1c(ccc(Cl)c1Cl)N2
InChIInChI=1S/C14H15Cl2N3O2/c1-8(20)19-6-4-14(5-7-19)17-10-3-2-9(15)12(16)11(10)13(21)18-14/h2-3,17H,4-7H2,1H3,(H,18,21)
InChIKeyMHNRVEIRYCHBLI-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46169511) is 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is CC(=O)N1CCC2(CC1)NC(=O)c1c(ccc(Cl)c1Cl)N2.
What is the InChIKey of 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is MHNRVEIRYCHBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-8(20)19-6-4-14(5-7-19)17-10-3-2-9(15)12(16)11(10)13(21)18-14/h2-3,17H,4-7H2,1H3,(H,18,21).
What are the key properties of 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 328.20 g/mol, XLogP of 2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-5,6-dichlorospiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46169511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).