N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C19H19N3O4 — CID 4905328

IUPACN-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2cnc3ccccc3c2=O)cc(OC)c1
InChIInChI=1S/C19H19N3O4/c1-25-14-9-13(10-15(11-14)26-2)21-18(23)7-8-22-12-20-17-6-4-3-5-16(17)19(22)24/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)
InChIKeyAITHTXAHOJDFQU-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.44
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 4905328) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID4905328
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2cnc3ccccc3c2=O)cc(OC)c1
InChIInChI=1S/C19H19N3O4/c1-25-14-9-13(10-15(11-14)26-2)21-18(23)7-8-22-12-20-17-6-4-3-5-16(17)19(22)24/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)
InChIKeyAITHTXAHOJDFQU-UHFFFAOYSA-N
XLogP2.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-[5-[3-(4-methoxyanilino)-3-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 2976248
N-(6-ethoxypyrimidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 71795774
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90575511

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 4905328) is N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is COc1cc(NC(=O)CCn2cnc3ccccc3c2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is AITHTXAHOJDFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-14-9-13(10-15(11-14)26-2)21-18(23)7-8-22-12-20-17-6-4-3-5-16(17)19(22)24/h3-6,9-12H,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 353.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 4905328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).