3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide

C16H20N4O3 — CID 124613645

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
SMILESCN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[C@@H]1CCNC1
InChIInChI=1S/C16H20N4O3/c1-19(11-6-8-17-10-11)14(21)7-9-20-13-5-3-2-4-12(13)15(22)18-16(20)23/h2-5,11,17H,6-10H2,1H3,(H,18,22,23)/t11-/m1/s1
InChIKeyOXTYIWRELSLYRW-LLVKDONJSA-N
MW316.36 g/mol
LogP-0.10
Rot. Bonds4

About 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide (PubChem CID 124613645) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
PubChem CID124613645
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
SMILESCN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[C@@H]1CCNC1
InChIInChI=1S/C16H20N4O3/c1-19(11-6-8-17-10-11)14(21)7-9-20-13-5-3-2-4-12(13)15(22)18-16(20)23/h2-5,11,17H,6-10H2,1H3,(H,18,22,23)/t11-/m1/s1
InChIKeyOXTYIWRELSLYRW-LLVKDONJSA-N
XLogP-0.10
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824520
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 86925489
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557041
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442716
N-[(3-chlorophenyl)methyl]-3-(2,4-dioxoquinazolin-1-yl)-N-methylpropanamide
CID 17468906
N-methyl-3-(4-phenylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119554014
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
CID 33345317
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 24551664
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552041

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide (CID 124613645) is 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide is CN(C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)[C@@H]1CCNC1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide?
The InChIKey is OXTYIWRELSLYRW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19(11-6-8-17-10-11)14(21)7-9-20-13-5-3-2-4-12(13)15(22)18-16(20)23/h2-5,11,17H,6-10H2,1H3,(H,18,22,23)/t11-/m1/s1.
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide has a molecular weight of 316.36 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 124613645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).