2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide

C21H18N4O3 — CID 29331067

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2cnc3ccccc3c2)c1=O
InChIInChI=1S/C21H18N4O3/c1-2-24-20(27)16-8-4-6-10-18(16)25(21(24)28)13-19(26)23-15-11-14-7-3-5-9-17(14)22-12-15/h3-12H,2,13H2,1H3,(H,23,26)
InChIKeyFHBTXRIROXVXOP-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.37
Rot. Bonds4

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide (PubChem CID 29331067) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide
PubChem CID29331067
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2cnc3ccccc3c2)c1=O
InChIInChI=1S/C21H18N4O3/c1-2-24-20(27)16-8-4-6-10-18(16)25(21(24)28)13-19(26)23-15-11-14-7-3-5-9-17(14)22-12-15/h3-12H,2,13H2,1H3,(H,23,26)
InChIKeyFHBTXRIROXVXOP-UHFFFAOYSA-N
XLogP2.37
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-(1H-benzimidazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 24508854
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55433678
2-chloro-N,N-diethyl-4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzamide
CID 55673325
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55432888
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 55727822
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-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
N'-(4,6-dimethylpyrimidin-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetohydrazide
CID 26121911
N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
CID 55782744

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide (CID 29331067) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2cnc3ccccc3c2)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide?
The InChIKey is FHBTXRIROXVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-2-24-20(27)16-8-4-6-10-18(16)25(21(24)28)13-19(26)23-15-11-14-7-3-5-9-17(14)22-12-15/h3-12H,2,13H2,1H3,(H,23,26).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide has a molecular weight of 374.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide is sourced from PubChem (CID 29331067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).