N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide

C21H23N3O4 — CID 4909703

IUPACN-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESCCCCOc1ccc(NC(=O)C(C)n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C21H23N3O4/c1-3-4-13-28-16-11-9-15(10-12-16)22-19(25)14(2)24-20(26)17-7-5-6-8-18(17)23-21(24)27/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyBIBAPHQNTXSWIR-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.07
Rot. Bonds7

About N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide

N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (PubChem CID 4909703) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
PubChem CID4909703
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
SMILESCCCCOc1ccc(NC(=O)C(C)n2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C21H23N3O4/c1-3-4-13-28-16-11-9-15(10-12-16)22-19(25)14(2)24-20(26)17-7-5-6-8-18(17)23-21(24)27/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyBIBAPHQNTXSWIR-UHFFFAOYSA-N
XLogP3.07
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4911728
2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(4-pentylphenyl)propanamide
CID 42939385
(2R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 51427958
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-2-phenylacetic acid
CID 51428003
methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)pentanoate
CID 68726339
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 43022874
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4907918
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159
(2S)-2-bromo-N-(4-butoxyphenyl)butanamide
CID 95970141
N-(4-ethoxyphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 24535994
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 24519182

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide (CID 4909703) is N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is CCCCOc1ccc(NC(=O)C(C)n2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
The InChIKey is BIBAPHQNTXSWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-4-13-28-16-11-9-15(10-12-16)22-19(25)14(2)24-20(26)17-7-5-6-8-18(17)23-21(24)27/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide?
N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide has a molecular weight of 381.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide is sourced from PubChem (CID 4909703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).