(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide

C16H19N3O3 — CID 118658180

IUPAC(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc2c(c1)c(=O)n(CC)c(=O)n2CC
InChIInChI=1S/C16H19N3O3/c1-4-7-14(20)17-11-8-9-13-12(10-11)15(21)19(6-3)16(22)18(13)5-2/h4,7-10H,5-6H2,1-3H3,(H,17,20)/b7-4+
InChIKeyBQOWVOQCTOQGOL-QPJJXVBHSA-N
MW301.35 g/mol
LogP1.72
Rot. Bonds4

About (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide

(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide (PubChem CID 118658180) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide
PubChem CID118658180
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc2c(c1)c(=O)n(CC)c(=O)n2CC
InChIInChI=1S/C16H19N3O3/c1-4-7-14(20)17-11-8-9-13-12(10-11)15(21)19(6-3)16(22)18(13)5-2/h4,7-10H,5-6H2,1-3H3,(H,17,20)/b7-4+
InChIKeyBQOWVOQCTOQGOL-QPJJXVBHSA-N
XLogP1.72
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-phenylbutanamide
CID 118658550
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
CID 118658750
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 33248445
cis-(1R,2S)-1-N-(3-chloro-4-cyanophenyl)-2-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)cyclopropane-1,2-dicarboxamide
CID 130221572
(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17164828
2-chloro-4-[2-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)hydrazinyl]benzonitrile
CID 154468806
N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)-3-methyl-5-(4-methylsulfanylphenoxy)pentanamide
CID 90455020
[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] (E)-but-2-enoate
CID 7981141
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 4093912
3-(2-cyclohexylethyl)-1-ethyl-6-(ethylamino)quinazoline-2,4-dione
CID 118576530
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide?
The IUPAC name of (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide (CID 118658180) is (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide?
The canonical SMILES for (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide is C/C=C/C(=O)Nc1ccc2c(c1)c(=O)n(CC)c(=O)n2CC.
What is the InChIKey of (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide?
The InChIKey is BQOWVOQCTOQGOL-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-7-14(20)17-11-8-9-13-12(10-11)15(21)19(6-3)16(22)18(13)5-2/h4,7-10H,5-6H2,1-3H3,(H,17,20)/b7-4+.
What are the key properties of (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide?
(E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide has a molecular weight of 301.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-diethyl-2,4-dioxoquinazolin-6-yl)but-2-enamide is sourced from PubChem (CID 118658180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).