1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one

C26H32N2O3 — CID 10159139

IUPAC1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCOc1cc2c(-c3ccc(C(C)C)cc3)nc(=O)n(CC3CCCCC3)c2cc1OC
InChIInChI=1S/C26H32N2O3/c1-17(2)19-10-12-20(13-11-19)25-21-14-23(30-3)24(31-4)15-22(21)28(26(29)27-25)16-18-8-6-5-7-9-18/h10-15,17-18H,5-9,16H2,1-4H3
InChIKeyOZQLEAQCIQBJDA-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.78
Rot. Bonds6

About 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one

1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 10159139) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one
PubChem CID10159139
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one
SMILESCOc1cc2c(-c3ccc(C(C)C)cc3)nc(=O)n(CC3CCCCC3)c2cc1OC
InChIInChI=1S/C26H32N2O3/c1-17(2)19-10-12-20(13-11-19)25-21-14-23(30-3)24(31-4)15-22(21)28(26(29)27-25)16-18-8-6-5-7-9-18/h10-15,17-18H,5-9,16H2,1-4H3
InChIKeyOZQLEAQCIQBJDA-UHFFFAOYSA-N
XLogP5.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one (CID 10159139) is 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one is COc1cc2c(-c3ccc(C(C)C)cc3)nc(=O)n(CC3CCCCC3)c2cc1OC.
What is the InChIKey of 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is OZQLEAQCIQBJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-17(2)19-10-12-20(13-11-19)25-21-14-23(30-3)24(31-4)15-22(21)28(26(29)27-25)16-18-8-6-5-7-9-18/h10-15,17-18H,5-9,16H2,1-4H3.
What are the key properties of 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one?
1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 420.55 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6,7-dimethoxy-4-(4-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 10159139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).