2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide

C19H19N3O3 — CID 67073484

IUPAC2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide
SMILESCOc1ccc(-n2c(C(C)C(N)=O)nc3cc(C)ccc3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-11-4-9-15-16(10-11)21-18(12(2)17(20)23)22(19(15)24)13-5-7-14(25-3)8-6-13/h4-10,12H,1-3H3,(H2,20,23)
InChIKeyCHGCMEALCCJOJN-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide

2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide (PubChem CID 67073484) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide
PubChem CID67073484
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide
SMILESCOc1ccc(-n2c(C(C)C(N)=O)nc3cc(C)ccc3c2=O)cc1
InChIInChI=1S/C19H19N3O3/c1-11-4-9-15-16(10-11)21-18(12(2)17(20)23)22(19(15)24)13-5-7-14(25-3)8-6-13/h4-10,12H,1-3H3,(H2,20,23)
InChIKeyCHGCMEALCCJOJN-UHFFFAOYSA-N
XLogP2.29
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide (CID 67073484) is 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide is COc1ccc(-n2c(C(C)C(N)=O)nc3cc(C)ccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide?
The InChIKey is CHGCMEALCCJOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-4-9-15-16(10-11)21-18(12(2)17(20)23)22(19(15)24)13-5-7-14(25-3)8-6-13/h4-10,12H,1-3H3,(H2,20,23).
What are the key properties of 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide?
2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-7-methyl-4-oxoquinazolin-2-yl]propanamide is sourced from PubChem (CID 67073484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).