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

C16H24N2O2 — CID 23605407

IUPAC1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCCC(=O)N1C2=C(CCCC2)C(=O)NC12CCCCC2
InChIInChI=1S/C16H24N2O2/c1-2-14(19)18-13-9-5-4-8-12(13)15(20)17-16(18)10-6-3-7-11-16/h2-11H2,1H3,(H,17,20)
InChIKeyGOGXYWZUKIEVBA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.84
Rot. Bonds1

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

1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one (PubChem CID 23605407) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
PubChem CID23605407
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCCC(=O)N1C2=C(CCCC2)C(=O)NC12CCCCC2
InChIInChI=1S/C16H24N2O2/c1-2-14(19)18-13-9-5-4-8-12(13)15(20)17-16(18)10-6-3-7-11-16/h2-11H2,1H3,(H,17,20)
InChIKeyGOGXYWZUKIEVBA-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one (CID 23605407) is 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one is CCC(=O)N1C2=C(CCCC2)C(=O)NC12CCCCC2.
What is the InChIKey of 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is GOGXYWZUKIEVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-14(19)18-13-9-5-4-8-12(13)15(20)17-16(18)10-6-3-7-11-16/h2-11H2,1H3,(H,17,20).
What are the key properties of 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one?
1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 23605407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).