N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide

C16H18N4O2 — CID 60513726

IUPACN-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C16H18N4O2/c1-3-19(9-12(2)8-17)15(21)10-20-11-18-14-7-5-4-6-13(14)16(20)22/h4-7,11-12H,3,9-10H2,1-2H3
InChIKeySOGJWBCJGKUHPY-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.40
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 60513726) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID60513726
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C16H18N4O2/c1-3-19(9-12(2)8-17)15(21)10-20-11-18-14-7-5-4-6-13(14)16(20)22/h4-7,11-12H,3,9-10H2,1-2H3
InChIKeySOGJWBCJGKUHPY-UHFFFAOYSA-N
XLogP1.40
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 47047399
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide
CID 97329389
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 60516795
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
N-methyl-N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134058897
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 60513726) is N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is CCN(CC(C)C#N)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SOGJWBCJGKUHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-19(9-12(2)8-17)15(21)10-20-11-18-14-7-5-4-6-13(14)16(20)22/h4-7,11-12H,3,9-10H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 60513726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).