N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide

C22H25N3O5 — CID 71959512

IUPACN-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
SMILESCOCCNC(=O)C(C)n1c(=O)n(-c2ccc(OC)cc2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C22H25N3O5/c1-14-5-10-19-18(13-14)21(27)25(16-6-8-17(30-4)9-7-16)22(28)24(19)15(2)20(26)23-11-12-29-3/h5-10,13,15H,11-12H2,1-4H3,(H,23,26)
InChIKeyATSMMIWGMRVJHX-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.79
Rot. Bonds7

About N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide

N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide (PubChem CID 71959512) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
PubChem CID71959512
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
SMILESCOCCNC(=O)C(C)n1c(=O)n(-c2ccc(OC)cc2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C22H25N3O5/c1-14-5-10-19-18(13-14)21(27)25(16-6-8-17(30-4)9-7-16)22(28)24(19)15(2)20(26)23-11-12-29-3/h5-10,13,15H,11-12H2,1-4H3,(H,23,26)
InChIKeyATSMMIWGMRVJHX-UHFFFAOYSA-N
XLogP1.79
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 42811751
(2R)-2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 93302133
2-[3-(3-chloro-4-fluorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-propylpropanamide
CID 71959526
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 24718369
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
CID 71956372
N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 46135503
2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 42810737
(2S)-2-[7-chloro-3-(4-ethoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylpropyl)propanamide
CID 93302190
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 46284293
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
CID 71954955
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide (CID 71959512) is N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide is COCCNC(=O)C(C)n1c(=O)n(-c2ccc(OC)cc2)c(=O)c2cc(C)ccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide?
The InChIKey is ATSMMIWGMRVJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-14-5-10-19-18(13-14)21(27)25(16-6-8-17(30-4)9-7-16)22(28)24(19)15(2)20(26)23-11-12-29-3/h5-10,13,15H,11-12H2,1-4H3,(H,23,26).
What are the key properties of N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide?
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide has a molecular weight of 411.46 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide is sourced from PubChem (CID 71959512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).