4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one

C20H22N2O2 — CID 45139807

IUPAC4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one
SMILESCCc1ccc(-c2nc(=O)n(C(C)C)c3ccc(OC)cc23)cc1
InChIInChI=1S/C20H22N2O2/c1-5-14-6-8-15(9-7-14)19-17-12-16(24-4)10-11-18(17)22(13(2)3)20(23)21-19/h6-13H,5H2,1-4H3
InChIKeyZCNIOSIBTZEUFA-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.22
Rot. Bonds4

About 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one

4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one (PubChem CID 45139807) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one
PubChem CID45139807
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one
SMILESCCc1ccc(-c2nc(=O)n(C(C)C)c3ccc(OC)cc23)cc1
InChIInChI=1S/C20H22N2O2/c1-5-14-6-8-15(9-7-14)19-17-12-16(24-4)10-11-18(17)22(13(2)3)20(23)21-19/h6-13H,5H2,1-4H3
InChIKeyZCNIOSIBTZEUFA-UHFFFAOYSA-N
XLogP4.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Atf-936
CID 44201334
AXT914
CID 59259095
5-(1-Methylethyl)-8-phenyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-one
CID 36331
6-methoxy-N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1(2H)-carboxamide
CID 1419640
1-(4-methoxyphenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)urea
CID 10047411
Calcium-Sensing Receptor Antagonists I
CID 10109178
1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
CID 10115992
6-Allyloxy-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 10133274
1-Benzyl-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
CID 10158373
4-(4-Isopropyl-phenyl)-1-(4-methyl-benzyl)-6-propargyloxy-1H-quinazolin-2-one
CID 45140595
1-(4-Ethyl-benzyl)-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
CID 45140596
4-(4-Isopropyl-phenyl)-1-(4-methoxy-benzyl)-6-propargyloxy-1H-quinazolin-2-one
CID 45140791

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one?
The IUPAC name of 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one (CID 45139807) is 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one.
What is the SMILES notation for 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one?
The canonical SMILES for 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one is CCc1ccc(-c2nc(=O)n(C(C)C)c3ccc(OC)cc23)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one?
The InChIKey is ZCNIOSIBTZEUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-5-14-6-8-15(9-7-14)19-17-12-16(24-4)10-11-18(17)22(13(2)3)20(23)21-19/h6-13H,5H2,1-4H3.
What are the key properties of 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one?
4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one has a molecular weight of 322.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-6-methoxy-1-propan-2-ylquinazolin-2-one is sourced from PubChem (CID 45139807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).