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

C19H18N4O5 — CID 55900388

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc([N+](=O)[O-])cc2)c1=O
InChIInChI=1S/C19H18N4O5/c1-2-21-18(25)15-5-3-4-6-16(15)22(19(21)26)12-17(24)20-11-13-7-9-14(10-8-13)23(27)28/h3-10H,2,11-12H2,1H3,(H,20,24)
InChIKeyZESMGKLVYPJUBP-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.41
Rot. Bonds6

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

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide (PubChem CID 55900388) 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-[(4-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
PubChem CID55900388
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc([N+](=O)[O-])cc2)c1=O
InChIInChI=1S/C19H18N4O5/c1-2-21-18(25)15-5-3-4-6-16(15)22(19(21)26)12-17(24)20-11-13-7-9-14(10-8-13)23(27)28/h3-10H,2,11-12H2,1H3,(H,20,24)
InChIKeyZESMGKLVYPJUBP-UHFFFAOYSA-N
XLogP1.41
TPSA116.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.41
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-ethyl-2,4-dioxoquinazolin-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55503074
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786
N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
CID 55782744
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55812305
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
N-[2-(4-chlorophenyl)ethyl]-3-[1-[(4-nitrophenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 46247371
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide (CID 55900388) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc([N+](=O)[O-])cc2)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
The InChIKey is ZESMGKLVYPJUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-2-21-18(25)15-5-3-4-6-16(15)22(19(21)26)12-17(24)20-11-13-7-9-14(10-8-13)23(27)28/h3-10H,2,11-12H2,1H3,(H,20,24).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide has a molecular weight of 382.38 g/mol, XLogP of 1.41, 6 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-[(4-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 55900388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).