6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one

C20H24N2O — CID 46232575

IUPAC6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
SMILESCc1ccc2c(c1)CN(CCc1ccc(C(C)C)cc1)C(=O)N2
InChIInChI=1S/C20H24N2O/c1-14(2)17-7-5-16(6-8-17)10-11-22-13-18-12-15(3)4-9-19(18)21-20(22)23/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyZQQFUBSVQKDIIP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.71
Rot. Bonds4

About 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one

6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one (PubChem CID 46232575) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
PubChem CID46232575
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one
SMILESCc1ccc2c(c1)CN(CCc1ccc(C(C)C)cc1)C(=O)N2
InChIInChI=1S/C20H24N2O/c1-14(2)17-7-5-16(6-8-17)10-11-22-13-18-12-15(3)4-9-19(18)21-20(22)23/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyZQQFUBSVQKDIIP-UHFFFAOYSA-N
XLogP4.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one (CID 46232575) is 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one is Cc1ccc2c(c1)CN(CCc1ccc(C(C)C)cc1)C(=O)N2.
What is the InChIKey of 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
The InChIKey is ZQQFUBSVQKDIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)17-7-5-16(6-8-17)10-11-22-13-18-12-15(3)4-9-19(18)21-20(22)23/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one?
6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one has a molecular weight of 308.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 46232575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).