3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide

C11H15N3O3 — CID 142140798

IUPAC3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide
SMILESNC(=O)CCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C11H15N3O3/c12-9(15)5-6-14-8-4-2-1-3-7(8)10(16)13-11(14)17/h1-6H2,(H2,12,15)(H,13,16,17)
InChIKeyWJHAALRFWQWOAZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.71
Rot. Bonds3

About 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide

3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide (PubChem CID 142140798) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide
PubChem CID142140798
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide
SMILESNC(=O)CCn1c2c(c(=O)[nH]c1=O)CCCC2
InChIInChI=1S/C11H15N3O3/c12-9(15)5-6-14-8-4-2-1-3-7(8)10(16)13-11(14)17/h1-6H2,(H2,12,15)(H,13,16,17)
InChIKeyWJHAALRFWQWOAZ-UHFFFAOYSA-N
XLogP-0.71
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7,8-Tetrahydroquinazoline-2,4(1H,3H)-dione
CID 471872
Uracil, 5-butyl-3-ethyl-6-methyl-
CID 3021772
Uracil, 3,5-dibutyl-6-methyl-
CID 3021920
3-Butyl-2-hydroxy-6-methyl-5-pentylpyrimidin-4(3H)-one
CID 16205726
1-acetylspiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
CID 6623819
1,3-Dimethyl-5,6,7,8-tetrahydroquinazoline-2,4(1H,3H)-dione
CID 12705976
1-(2,2,3,3,3-Pentafluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 134592054
1-(3-Hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 12514470
1-Ethylaminopentyl-3,6-dimethyluracil
CID 129761064
1-(3,3,3-Trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 101347112
3-(2,4-Dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid
CID 11368400
6-(Cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
CID 11521517

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide (CID 142140798) is 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide is NC(=O)CCn1c2c(c(=O)[nH]c1=O)CCCC2.
What is the InChIKey of 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide?
The InChIKey is WJHAALRFWQWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-9(15)5-6-14-8-4-2-1-3-7(8)10(16)13-11(14)17/h1-6H2,(H2,12,15)(H,13,16,17).
What are the key properties of 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide?
3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide has a molecular weight of 237.26 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanamide is sourced from PubChem (CID 142140798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).