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

C28H26N2O — CID 176687398

IUPAC3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one
SMILESCCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H26N2O/c1-2-3-8-20-13-17-24(18-14-20)30-27(29-26-12-7-6-11-25(26)28(30)31)23-16-15-21-9-4-5-10-22(21)19-23/h4-7,9-19,27,29H,2-3,8H2,1H3
InChIKeyQBOUUJFVTQAUAR-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.95
Rot. Bonds5

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

3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 176687398) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID176687398
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one
SMILESCCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C28H26N2O/c1-2-3-8-20-13-17-24(18-14-20)30-27(29-26-12-7-6-11-25(26)28(30)31)23-16-15-21-9-4-5-10-22(21)19-23/h4-7,9-19,27,29H,2-3,8H2,1H3
InChIKeyQBOUUJFVTQAUAR-UHFFFAOYSA-N
XLogP6.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-butylphenyl)-2-(3,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687506
2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687508
(2R)-2-[4-[(4-bromophenyl)methoxy]phenyl]-3-(4-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 124529838
3-(4-butylphenyl)-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687363
(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2253283
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 23736105
2-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 3117510
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one (CID 176687398) is 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one is CCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is QBOUUJFVTQAUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-2-3-8-20-13-17-24(18-14-20)30-27(29-26-12-7-6-11-25(26)28(30)31)23-16-15-21-9-4-5-10-22(21)19-23/h4-7,9-19,27,29H,2-3,8H2,1H3.
What are the key properties of 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one?
3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 406.53 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 176687398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).