8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one

C18H18N2O2 — CID 166226224

IUPAC8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
SMILESCOc1cccc2c1CCC1(C2)NC(=O)c2ccccc2N1
InChIInChI=1S/C18H18N2O2/c1-22-16-8-4-5-12-11-18(10-9-13(12)16)19-15-7-3-2-6-14(15)17(21)20-18/h2-8,19H,9-11H2,1H3,(H,20,21)
InChIKeyMBRCDHJNGGVEDL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.74
Rot. Bonds1

About 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one

8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one (PubChem CID 166226224) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one.

Molecular Properties

Compound Name8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
PubChem CID166226224
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
SMILESCOc1cccc2c1CCC1(C2)NC(=O)c2ccccc2N1
InChIInChI=1S/C18H18N2O2/c1-22-16-8-4-5-12-11-18(10-9-13(12)16)19-15-7-3-2-6-14(15)17(21)20-18/h2-8,19H,9-11H2,1H3,(H,20,21)
InChIKeyMBRCDHJNGGVEDL-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one?
The IUPAC name of 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one (CID 166226224) is 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one.
What is the SMILES notation for 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one?
The canonical SMILES for 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one is COc1cccc2c1CCC1(C2)NC(=O)c2ccccc2N1.
What is the InChIKey of 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one?
The InChIKey is MBRCDHJNGGVEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-16-8-4-5-12-11-18(10-9-13(12)16)19-15-7-3-2-6-14(15)17(21)20-18/h2-8,19H,9-11H2,1H3,(H,20,21).
What are the key properties of 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one?
8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one has a molecular weight of 294.35 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one is sourced from PubChem (CID 166226224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).