2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide

C19H18N4O5 — CID 26737786

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1=O
InChIInChI=1S/C19H18N4O5/c1-3-21-18(25)13-7-4-5-9-16(13)22(19(21)26)11-17(24)20-14-8-6-10-15(12(14)2)23(27)28/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKeyURPBSPCLQJNBET-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.04
Rot. Bonds5

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 26737786) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID26737786
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1=O
InChIInChI=1S/C19H18N4O5/c1-3-21-18(25)13-7-4-5-9-16(13)22(19(21)26)11-17(24)20-14-8-6-10-15(12(14)2)23(27)28/h4-10H,3,11H2,1-2H3,(H,20,24)
InChIKeyURPBSPCLQJNBET-UHFFFAOYSA-N
XLogP2.04
TPSA116.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2-methylindol-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 60548874
2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide
CID 2943669
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55900388
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55503074
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 25299288
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35278255
1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide
CID 30131946
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432797

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide (CID 26737786) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is URPBSPCLQJNBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-3-21-18(25)13-7-4-5-9-16(13)22(19(21)26)11-17(24)20-14-8-6-10-15(12(14)2)23(27)28/h4-10H,3,11H2,1-2H3,(H,20,24).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 382.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 26737786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).