1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one

C23H28N2O2 — CID 45140005

IUPAC1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one
SMILESCCCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C23H28N2O2/c1-6-13-27-19-11-12-21-20(14-19)22(24-23(26)25(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h7-12,14-16H,6,13H2,1-5H3
InChIKeyXJVMUDHCGJXMHI-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.56
Rot. Bonds6

About 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one

1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one (PubChem CID 45140005) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one
PubChem CID45140005
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one
SMILESCCCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C
InChIInChI=1S/C23H28N2O2/c1-6-13-27-19-11-12-21-20(14-19)22(24-23(26)25(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h7-12,14-16H,6,13H2,1-5H3
InChIKeyXJVMUDHCGJXMHI-UHFFFAOYSA-N
XLogP5.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Atf-936
CID 44201334
1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-thione
CID 10028311
AXT914
CID 59259095
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
2-(4-methylpiperazin-1-yl)-N-[3-[[2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-1-yl]methyl]phenyl]acetamide
CID 10120467
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
1-(4-Ethoxy-benzyl)-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
CID 45140792

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one?
The IUPAC name of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one (CID 45140005) is 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one?
The canonical SMILES for 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one is CCCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C.
What is the InChIKey of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one?
The InChIKey is XJVMUDHCGJXMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-6-13-27-19-11-12-21-20(14-19)22(24-23(26)25(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h7-12,14-16H,6,13H2,1-5H3.
What are the key properties of 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one?
1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one has a molecular weight of 364.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-propoxyquinazolin-2-one is sourced from PubChem (CID 45140005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).