3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one

C15H17BrN4O2 — CID 119378564

IUPAC3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one
SMILESNC1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1
InChIInChI=1S/C15H17BrN4O2/c16-10-3-4-13-12(6-10)15(22)20(9-18-13)8-14(21)19-5-1-2-11(17)7-19/h3-4,6,9,11H,1-2,5,7-8,17H2
InChIKeyPVPRADIYZSKSHT-UHFFFAOYSA-N
MW365.23 g/mol
LogP1.11
Rot. Bonds2

About 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one

3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one (PubChem CID 119378564) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one
PubChem CID119378564
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one
SMILESNC1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1
InChIInChI=1S/C15H17BrN4O2/c16-10-3-4-13-12(6-10)15(22)20(9-18-13)8-14(21)19-5-1-2-11(17)7-19/h3-4,6,9,11H,1-2,5,7-8,17H2
InChIKeyPVPRADIYZSKSHT-UHFFFAOYSA-N
XLogP1.11
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-[2-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124612752
6-bromo-3-[2-[(3R)-3-methylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124620535
6-bromo-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]quinazolin-4-one
CID 56519020
6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119561032
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
CID 62050317
(2S)-1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119365735
4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55718407
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186
methyl 1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 7886638
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119376047
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one
CID 7227422

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one?
The IUPAC name of 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one (CID 119378564) is 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one.
What is the SMILES notation for 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one?
The canonical SMILES for 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one is NC1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)C1.
What is the InChIKey of 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one?
The InChIKey is PVPRADIYZSKSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c16-10-3-4-13-12(6-10)15(22)20(9-18-13)8-14(21)19-5-1-2-11(17)7-19/h3-4,6,9,11H,1-2,5,7-8,17H2.
What are the key properties of 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one?
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one has a molecular weight of 365.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one is sourced from PubChem (CID 119378564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).