3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one

C22H20N2O — CID 10336628

IUPAC3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one
SMILESO=C1c2cc3ccccc3cc2NC2(CCCC2)N1c1ccccc1
InChIInChI=1S/C22H20N2O/c25-21-19-14-16-8-4-5-9-17(16)15-20(19)23-22(12-6-7-13-22)24(21)18-10-2-1-3-11-18/h1-5,8-11,14-15,23H,6-7,12-13H2
InChIKeyAPVMYBHRNNDECY-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.18
Rot. Bonds1

About 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one

3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one (PubChem CID 10336628) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one
PubChem CID10336628
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one
SMILESO=C1c2cc3ccccc3cc2NC2(CCCC2)N1c1ccccc1
InChIInChI=1S/C22H20N2O/c25-21-19-14-16-8-4-5-9-17(16)15-20(19)23-22(12-6-7-13-22)24(21)18-10-2-1-3-11-18/h1-5,8-11,14-15,23H,6-7,12-13H2
InChIKeyAPVMYBHRNNDECY-UHFFFAOYSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one?
The IUPAC name of 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one (CID 10336628) is 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one?
The canonical SMILES for 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one is O=C1c2cc3ccccc3cc2NC2(CCCC2)N1c1ccccc1.
What is the InChIKey of 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one?
The InChIKey is APVMYBHRNNDECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-21-19-14-16-8-4-5-9-17(16)15-20(19)23-22(12-6-7-13-22)24(21)18-10-2-1-3-11-18/h1-5,8-11,14-15,23H,6-7,12-13H2.
What are the key properties of 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one?
3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one has a molecular weight of 328.42 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylspiro[1H-benzo[g]quinazoline-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 10336628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).