3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one

C25H26N2O2 — CID 54780065

IUPAC3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCN1C(=O)c2ccccc2NC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-2-3-17-27-24(26-23-12-8-7-11-22(23)25(27)28)20-13-15-21(16-14-20)29-18-19-9-5-4-6-10-19/h4-16,24,26H,2-3,17-18H2,1H3
InChIKeySJCKIJPXAUJRAN-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.63
Rot. Bonds7

About 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one

3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54780065) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54780065
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCN1C(=O)c2ccccc2NC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-2-3-17-27-24(26-23-12-8-7-11-22(23)25(27)28)20-13-15-21(16-14-20)29-18-19-9-5-4-6-10-19/h4-16,24,26H,2-3,17-18H2,1H3
InChIKeySJCKIJPXAUJRAN-UHFFFAOYSA-N
XLogP5.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778728
2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778806
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133
3-benzyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780093
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
CID 54778916
(2R)-2-[4-[(4-bromophenyl)methoxy]phenyl]-3-(4-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 124529838
3-benzyl-2-[4-(3-methylbutoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54779649
3-(3-methoxypropyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780303
2-[4-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54780086

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54780065) is 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one is CCCCN1C(=O)c2ccccc2NC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is SJCKIJPXAUJRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-2-3-17-27-24(26-23-12-8-7-11-22(23)25(27)28)20-13-15-21(16-14-20)29-18-19-9-5-4-6-10-19/h4-16,24,26H,2-3,17-18H2,1H3.
What are the key properties of 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 386.50 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54780065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).