3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride

C16H20BrClN4O2 — CID 119376047

IUPAC3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
SMILESCl.NC1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1
InChIInChI=1S/C16H19BrN4O2.ClH/c17-11-1-2-14-13(9-11)16(23)21(10-19-14)8-5-15(22)20-6-3-12(18)4-7-20;/h1-2,9-10,12H,3-8,18H2;1H
InChIKeyXOPRPSJRIVOLPD-UHFFFAOYSA-N
MW415.72 g/mol
LogP1.92
Rot. Bonds3

About 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride

3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride (PubChem CID 119376047) has the molecular formula C16H20BrClN4O2 and a molecular weight of 415.72 g/mol. Its IUPAC name is 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
PubChem CID119376047
Molecular FormulaC16H20BrClN4O2
Molecular Weight415.72 g/mol
Exact Mass414.05
IUPAC Name3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
SMILESCl.NC1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1
InChIInChI=1S/C16H19BrN4O2.ClH/c17-11-1-2-14-13(9-11)16(23)21(10-19-14)8-5-15(22)20-6-3-12(18)4-7-20;/h1-2,9-10,12H,3-8,18H2;1H
InChIKeyXOPRPSJRIVOLPD-UHFFFAOYSA-N
XLogP1.92
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride with MolForge

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Related Compounds

ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207
6-bromo-3-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]quinazolin-4-one
CID 38378074
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
2-[4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 39934425
6-bromo-3-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124620440
3-[3-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-6-bromoquinazolin-4-one
CID 124702225
tert-butyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 31122265
6-bromo-3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31111530
6-bromo-3-[3-[(3S)-3-methylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124697383
6-bromo-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 42938979
6-bromo-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
CID 34442046
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one
CID 119378564

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride?
The IUPAC name of 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride (CID 119376047) is 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride is Cl.NC1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1.
What is the InChIKey of 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride?
The InChIKey is XOPRPSJRIVOLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2.ClH/c17-11-1-2-14-13(9-11)16(23)21(10-19-14)8-5-15(22)20-6-3-12(18)4-7-20;/h1-2,9-10,12H,3-8,18H2;1H.
What are the key properties of 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride?
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride has a molecular weight of 415.72 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride is sourced from PubChem (CID 119376047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).