6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one

C16H19BrN4O2 — CID 119561032

IUPAC6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCNC1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1
InChIInChI=1S/C16H19BrN4O2/c1-18-12-4-6-20(7-5-12)15(22)9-21-10-19-14-3-2-11(17)8-13(14)16(21)23/h2-3,8,10,12,18H,4-7,9H2,1H3
InChIKeyJHHFJIUNHZBISC-UHFFFAOYSA-N
MW379.26 g/mol
LogP1.37
Rot. Bonds3

About 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one

6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 119561032) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID119561032
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCNC1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1
InChIInChI=1S/C16H19BrN4O2/c1-18-12-4-6-20(7-5-12)15(22)9-21-10-19-14-3-2-11(17)8-13(14)16(21)23/h2-3,8,10,12,18H,4-7,9H2,1H3
InChIKeyJHHFJIUNHZBISC-UHFFFAOYSA-N
XLogP1.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 7886638
6-bromo-3-[2-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124612752
4-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 55718407
6-bromo-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]quinazolin-4-one
CID 56519020
6-bromo-3-(2-oxo-2-piperazin-1-ylethyl)quinazolin-4-one
CID 62050317
6-bromo-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 51196186
6-bromo-3-[2-[(3R)-3-methylpiperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 124620535
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one
CID 119378564
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
6-bromo-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinazolin-4-one
CID 46460291
(2S)-1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119365735
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119376047

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 119561032) is 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one is CNC1CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1.
What is the InChIKey of 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is JHHFJIUNHZBISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-18-12-4-6-20(7-5-12)15(22)9-21-10-19-14-3-2-11(17)8-13(14)16(21)23/h2-3,8,10,12,18H,4-7,9H2,1H3.
What are the key properties of 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 379.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 119561032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).