3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

C16H20N4O3 — CID 119512038

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1CCCN1
InChIInChI=1S/C16H20N4O3/c21-14(18-10-11-4-3-8-17-11)7-9-20-13-6-2-1-5-12(13)15(22)19-16(20)23/h1-2,5-6,11,17H,3-4,7-10H2,(H,18,21)(H,19,22,23)
InChIKeyKKVCWMQAVWIXNH-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.05
Rot. Bonds5

About 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119512038) 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-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119512038
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1CCCN1
InChIInChI=1S/C16H20N4O3/c21-14(18-10-11-4-3-8-17-11)7-9-20-13-6-2-1-5-12(13)15(22)19-16(20)23/h1-2,5-6,11,17H,3-4,7-10H2,(H,18,21)(H,19,22,23)
InChIKeyKKVCWMQAVWIXNH-UHFFFAOYSA-N
XLogP-0.05
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42408672
3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551373
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60515754
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide;hydrochloride
CID 119566493
3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 24544090

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119512038) is 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1CCCN1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is KKVCWMQAVWIXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-14(18-10-11-4-3-8-17-11)7-9-20-13-6-2-1-5-12(13)15(22)19-16(20)23/h1-2,5-6,11,17H,3-4,7-10H2,(H,18,21)(H,19,22,23).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 316.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119512038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).