3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide

C21H23N3O3 — CID 46970883

IUPAC3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H23N3O3/c1-14(2)27-17-8-6-7-16(13-17)23-20(25)11-12-24-15(3)22-19-10-5-4-9-18(19)21(24)26/h4-10,13-14H,11-12H2,1-3H3,(H,23,25)
InChIKeyCDEBDJAIYMFJDY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.52
Rot. Bonds6

About 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide

3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide (PubChem CID 46970883) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide
PubChem CID46970883
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide
SMILESCc1nc2ccccc2c(=O)n1CCC(=O)Nc1cccc(OC(C)C)c1
InChIInChI=1S/C21H23N3O3/c1-14(2)27-17-8-6-7-16(13-17)23-20(25)11-12-24-15(3)22-19-10-5-4-9-18(19)21(24)26/h4-10,13-14H,11-12H2,1-3H3,(H,23,25)
InChIKeyCDEBDJAIYMFJDY-UHFFFAOYSA-N
XLogP3.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-propan-2-ylimidazol-1-yl)phenyl]propanamide
CID 46969878
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 37126887
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575508
N-(3-methoxyphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680279
N-(3-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2639350
N-[(3-methylphenyl)carbamothioyl]-3-(4-oxo-2-phenylquinazolin-3-yl)propanamide
CID 3055155
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
4-amino-N-(3-propan-2-yloxyphenyl)butanamide
CID 92930679
N-(3-acetylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 16510533

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide (CID 46970883) is 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide is Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1cccc(OC(C)C)c1.
What is the InChIKey of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide?
The InChIKey is CDEBDJAIYMFJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)27-17-8-6-7-16(13-17)23-20(25)11-12-24-15(3)22-19-10-5-4-9-18(19)21(24)26/h4-10,13-14H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide?
3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 46970883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).