3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

C22H28N2O3 — CID 54778948

IUPAC3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCN1C(=O)c2ccccc2NC1c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-5-6-13-24-21(23-18-10-8-7-9-17(18)22(24)25)16-11-12-19(27-15(2)3)20(14-16)26-4/h7-12,14-15,21,23H,5-6,13H2,1-4H3
InChIKeyWIJPNVTWJUEKFM-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.85
Rot. Bonds7

About 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778948) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778948
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCCN1C(=O)c2ccccc2NC1c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-5-6-13-24-21(23-18-10-8-7-9-17(18)22(24)25)16-11-12-19(27-15(2)3)20(14-16)26-4/h7-12,14-15,21,23H,5-6,13H2,1-4H3
InChIKeyWIJPNVTWJUEKFM-UHFFFAOYSA-N
XLogP4.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

3-butan-2-yl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779036
2-(3-methoxy-4-propan-2-yloxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 24512402
(2S)-2-(4-methoxy-3-propoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009105
2-(4-hexoxy-3-methoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 54778229
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54779965
(2S)-3-[(2S)-butan-2-yl]-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008031
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
(2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009148
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54778948) is 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is CCCCN1C(=O)c2ccccc2NC1c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WIJPNVTWJUEKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-6-13-24-21(23-18-10-8-7-9-17(18)22(24)25)16-11-12-19(27-15(2)3)20(14-16)26-4/h7-12,14-15,21,23H,5-6,13H2,1-4H3.
What are the key properties of 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 368.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(3-methoxy-4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).