3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide

C22H25N3O2 — CID 53159177

IUPAC3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2nc3c(C)cccc3c(=O)n2C)cc1C
InChIInChI=1S/C22H25N3O2/c1-14-8-9-17(12-16(14)3)13-23-20(26)11-10-19-24-21-15(2)6-5-7-18(21)22(27)25(19)4/h5-9,12H,10-11,13H2,1-4H3,(H,23,26)
InChIKeyLOOYETQZILCYJE-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.11
Rot. Bonds5

About 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide

3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide (PubChem CID 53159177) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide
PubChem CID53159177
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2nc3c(C)cccc3c(=O)n2C)cc1C
InChIInChI=1S/C22H25N3O2/c1-14-8-9-17(12-16(14)3)13-23-20(26)11-10-19-24-21-15(2)6-5-7-18(21)22(27)25(19)4/h5-9,12H,10-11,13H2,1-4H3,(H,23,26)
InChIKeyLOOYETQZILCYJE-UHFFFAOYSA-N
XLogP3.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide?
The IUPAC name of 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide (CID 53159177) is 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2nc3c(C)cccc3c(=O)n2C)cc1C.
What is the InChIKey of 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide?
The InChIKey is LOOYETQZILCYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-8-9-17(12-16(14)3)13-23-20(26)11-10-19-24-21-15(2)6-5-7-18(21)22(27)25(19)4/h5-9,12H,10-11,13H2,1-4H3,(H,23,26).
What are the key properties of 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide?
3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,8-dimethyl-4-oxoquinazolin-2-yl)-N-[(3,4-dimethylphenyl)methyl]propanamide is sourced from PubChem (CID 53159177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).