4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one

C17H16N2O2 — CID 163851359

IUPAC4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
SMILESCOc1ccc(-c2nc(=O)n(C)c3cc(C)ccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-11-4-9-14-15(10-11)19(2)17(20)18-16(14)12-5-7-13(21-3)8-6-12/h4-10H,1-3H3
InChIKeyOUPSNTRVNJAJSM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.92
Rot. Bonds2

About 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one

4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one (PubChem CID 163851359) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
PubChem CID163851359
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
SMILESCOc1ccc(-c2nc(=O)n(C)c3cc(C)ccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-11-4-9-14-15(10-11)19(2)17(20)18-16(14)12-5-7-13(21-3)8-6-12/h4-10H,1-3H3
InChIKeyOUPSNTRVNJAJSM-UHFFFAOYSA-N
XLogP2.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-7-methyl-1-propan-2-ylquinazolin-2-one
CID 4620021
6,7-dimethoxy-1-methyl-4-phenylquinazolin-2-one
CID 158002363
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
CID 4903253
9-(4-methoxyphenyl)-2,7-dimethylcarbazole
CID 129212267
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
3,4-bis(4-methoxyphenyl)-7-methylisoquinolin-1-amine
CID 177422470
1-(113C)methoxy-4-methylbenzene
CID 166176950
3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906
9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
4-(4-methylphenyl)-1-propan-2-ylquinazolin-2-one
CID 125483876

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one (CID 163851359) is 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one is COc1ccc(-c2nc(=O)n(C)c3cc(C)ccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one?
The InChIKey is OUPSNTRVNJAJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-4-9-14-15(10-11)19(2)17(20)18-16(14)12-5-7-13(21-3)8-6-12/h4-10H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one?
4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one is sourced from PubChem (CID 163851359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).