3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

C18H25ClN4O3 — CID 119557041

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCC1CCCNC1
InChIInChI=1S/C18H24N4O3.ClH/c23-16(20-10-7-13-4-3-9-19-12-13)8-11-22-15-6-2-1-5-14(15)17(24)21-18(22)25;/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,23)(H,21,24,25);1H
InChIKeyGQYFEJYICURNIH-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.01
Rot. Bonds6

About 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119557041) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119557041
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCC1CCCNC1
InChIInChI=1S/C18H24N4O3.ClH/c23-16(20-10-7-13-4-3-9-19-12-13)8-11-22-15-6-2-1-5-14(15)17(24)21-18(22)25;/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,23)(H,21,24,25);1H
InChIKeyGQYFEJYICURNIH-UHFFFAOYSA-N
XLogP1.01
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119556281
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557505
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 25394121
3-(2,4-dioxoquinazolin-1-yl)-N-(4-phenoxybutyl)propanamide
CID 17414955
3-(2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613645
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 47058183
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N,N-diethylbutanamide
CID 60513440
3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42408672
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462022

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (CID 119557041) is 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is Cl.O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCCC1CCCNC1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is GQYFEJYICURNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c23-16(20-10-7-13-4-3-9-19-12-13)8-11-22-15-6-2-1-5-14(15)17(24)21-18(22)25;/h1-2,5-6,13,19H,3-4,7-12H2,(H,20,23)(H,21,24,25);1H.
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 1.01, 6 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-(2-piperidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119557041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).