2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

C30H30N2O2 — CID 54779434

IUPAC2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCCC(C)Oc1ccc2ccccc2c1C1Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C30H30N2O2/c1-3-21(2)34-27-18-17-23-13-7-8-14-24(23)28(27)29-31-26-16-10-9-15-25(26)30(33)32(29)20-19-22-11-5-4-6-12-22/h4-18,21,29,31H,3,19-20H2,1-2H3
InChIKeyGNGOEYPANNETAU-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.83
Rot. Bonds7

About 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779434) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779434
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC Name2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCCC(C)Oc1ccc2ccccc2c1C1Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C30H30N2O2/c1-3-21(2)34-27-18-17-23-13-7-8-14-24(23)28(27)29-31-26-16-10-9-15-25(26)30(33)32(29)20-19-22-11-5-4-6-12-22/h4-18,21,29,31H,3,19-20H2,1-2H3
InChIKeyGNGOEYPANNETAU-UHFFFAOYSA-N
XLogP6.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 54779434) is 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is CCC(C)Oc1ccc2ccccc2c1C1Nc2ccccc2C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is GNGOEYPANNETAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-3-21(2)34-27-18-17-23-13-7-8-14-24(23)28(27)29-31-26-16-10-9-15-25(26)30(33)32(29)20-19-22-11-5-4-6-12-22/h4-18,21,29,31H,3,19-20H2,1-2H3.
What are the key properties of 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 450.58 g/mol, XLogP of 6.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).