1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one

C15H22N2O2 — CID 6623819

IUPAC1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCC(=O)N1C2=C(CCCC2)C(=O)NC12CCCCC2
InChIInChI=1S/C15H22N2O2/c1-11(18)17-13-8-4-3-7-12(13)14(19)16-15(17)9-5-2-6-10-15/h2-10H2,1H3,(H,16,19)
InChIKeyVPOUUCHPWTZTIG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.45
Rot. Bonds

About 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one

1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one (PubChem CID 6623819) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
PubChem CID6623819
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCC(=O)N1C2=C(CCCC2)C(=O)NC12CCCCC2
InChIInChI=1S/C15H22N2O2/c1-11(18)17-13-8-4-3-7-12(13)14(19)16-15(17)9-5-2-6-10-15/h2-10H2,1H3,(H,16,19)
InChIKeyVPOUUCHPWTZTIG-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one (CID 6623819) is 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one is CC(=O)N1C2=C(CCCC2)C(=O)NC12CCCCC2.
What is the InChIKey of 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is VPOUUCHPWTZTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)17-13-8-4-3-7-12(13)14(19)16-15(17)9-5-2-6-10-15/h2-10H2,1H3,(H,16,19).
What are the key properties of 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one?
1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 262.35 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 6623819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).