3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide

C21H23N3O4 — CID 136611317

IUPAC3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(CCC(N)=O)c(C)c3)nc2c1
InChIInChI=1S/C21H23N3O4/c1-11-7-13(8-12(2)15(11)5-6-18(22)25)20-23-16-9-14(27-3)10-17(28-4)19(16)21(26)24-20/h7-10H,5-6H2,1-4H3,(H2,22,25)(H,23,24,26)
InChIKeyAUGIXJLKPVTDQE-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.64
Rot. Bonds6

About 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide

3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide (PubChem CID 136611317) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide.

Molecular Properties

Compound Name3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide
PubChem CID136611317
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(CCC(N)=O)c(C)c3)nc2c1
InChIInChI=1S/C21H23N3O4/c1-11-7-13(8-12(2)15(11)5-6-18(22)25)20-23-16-9-14(27-3)10-17(28-4)19(16)21(26)24-20/h7-10H,5-6H2,1-4H3,(H2,22,25)(H,23,24,26)
InChIKeyAUGIXJLKPVTDQE-UHFFFAOYSA-N
XLogP2.64
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide?
The IUPAC name of 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide (CID 136611317) is 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide.
What is the SMILES notation for 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide?
The canonical SMILES for 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide is COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(CCC(N)=O)c(C)c3)nc2c1.
What is the InChIKey of 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide?
The InChIKey is AUGIXJLKPVTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-11-7-13(8-12(2)15(11)5-6-18(22)25)20-23-16-9-14(27-3)10-17(28-4)19(16)21(26)24-20/h7-10H,5-6H2,1-4H3,(H2,22,25)(H,23,24,26).
What are the key properties of 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide?
3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide is sourced from PubChem (CID 136611317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).