(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

C26H22N2O — CID 2414793

IUPAC(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cccc3ccccc23)N1CCc1ccccc1
InChIInChI=1S/C26H22N2O/c29-26-23-14-6-7-16-24(23)27-25(28(26)18-17-19-9-2-1-3-10-19)22-15-8-12-20-11-4-5-13-21(20)22/h1-16,25,27H,17-18H2/t25-/m1/s1
InChIKeyOENAHIBXQDGLBG-RUZDIDTESA-N
MW378.48 g/mol
LogP5.65
Rot. Bonds4

About (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one

(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2414793) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID2414793
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cccc3ccccc23)N1CCc1ccccc1
InChIInChI=1S/C26H22N2O/c29-26-23-14-6-7-16-24(23)27-25(28(26)18-17-19-9-2-1-3-10-19)22-15-8-12-20-11-4-5-13-21(20)22/h1-16,25,27H,17-18H2/t25-/m1/s1
InChIKeyOENAHIBXQDGLBG-RUZDIDTESA-N
XLogP5.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-dihydroxyphenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 9007221
2-(2-butan-2-yloxynaphthalen-1-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779434
2-(3-chlorophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779414
(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007199
(2R)-2-naphthalen-1-yl-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 26638752
2-(3-nitrophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4789027
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 7777989
(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007058
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187
3-(2-methoxyethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780311
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
(2S)-2-(3,5-dimethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 2414793) is (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cccc3ccccc23)N1CCc1ccccc1.
What is the InChIKey of (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is OENAHIBXQDGLBG-RUZDIDTESA-N. The full InChI is InChI=1S/C26H22N2O/c29-26-23-14-6-7-16-24(23)27-25(28(26)18-17-19-9-2-1-3-10-19)22-15-8-12-20-11-4-5-13-21(20)22/h1-16,25,27H,17-18H2/t25-/m1/s1.
What are the key properties of (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 378.48 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-1-yl-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2414793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).