3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C17H23ClN4O2 — CID 119462556

IUPAC3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1cnc2ccccc2c1=O)NCC1CCCNC1
InChIInChI=1S/C17H22N4O2.ClH/c22-16(19-11-13-4-3-8-18-10-13)7-9-21-12-20-15-6-2-1-5-14(15)17(21)23;/h1-2,5-6,12-13,18H,3-4,7-11H2,(H,19,22);1H
InChIKeyPZTIBMMTTAQLQS-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.32
Rot. Bonds5

About 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119462556) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119462556
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1cnc2ccccc2c1=O)NCC1CCCNC1
InChIInChI=1S/C17H22N4O2.ClH/c22-16(19-11-13-4-3-8-18-10-13)7-9-21-12-20-15-6-2-1-5-14(15)17(21)23;/h1-2,5-6,12-13,18H,3-4,7-11H2,(H,19,22);1H
InChIKeyPZTIBMMTTAQLQS-UHFFFAOYSA-N
XLogP1.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464279
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462022
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 100906249
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 42958854
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
3-amino-N-[[1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579742
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 39724116
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
3-(4-oxoquinazolin-3-yl)-N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 99874645
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122263906

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119462556) is 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCn1cnc2ccccc2c1=O)NCC1CCCNC1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is PZTIBMMTTAQLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c22-16(19-11-13-4-3-8-18-10-13)7-9-21-12-20-15-6-2-1-5-14(15)17(21)23;/h1-2,5-6,12-13,18H,3-4,7-11H2,(H,19,22);1H.
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119462556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).