2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide

C18H17N3O4 — CID 24718369

IUPAC2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(C(C)C(N)=O)c2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-11(16(19)22)20-15-6-4-3-5-14(15)17(23)21(18(20)24)12-7-9-13(25-2)10-8-12/h3-11H,1-2H3,(H2,19,22)
InChIKeyIIPNEOZOSRFGCJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.21
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide

2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide (PubChem CID 24718369) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
PubChem CID24718369
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(C(C)C(N)=O)c2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-11(16(19)22)20-15-6-4-3-5-14(15)17(23)21(18(20)24)12-7-9-13(25-2)10-8-12/h3-11H,1-2H3,(H2,19,22)
InChIKeyIIPNEOZOSRFGCJ-UHFFFAOYSA-N
XLogP1.21
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 42810737
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 46135503
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
CID 71959512
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 42811751
(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 93142932
1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione
CID 165075305
N-hydroxy-3-[4-[[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]prop-2-enamide
CID 175872723
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
(2S)-2-[3-(3-chloro-4-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)propanamide
CID 93142963
2-[[4-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-methylacetamide
CID 18774748
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide (CID 24718369) is 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide is COc1ccc(-n2c(=O)c3ccccc3n(C(C)C(N)=O)c2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide?
The InChIKey is IIPNEOZOSRFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(16(19)22)20-15-6-4-3-5-14(15)17(23)21(18(20)24)12-7-9-13(25-2)10-8-12/h3-11H,1-2H3,(H2,19,22).
What are the key properties of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide?
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide has a molecular weight of 339.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide is sourced from PubChem (CID 24718369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).