7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one

C11H8BrClN2O2 — CID 143941840

IUPAC7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one
SMILESCC(=O)Cn1cnc2cc(Br)c(Cl)cc2c1=O
InChIInChI=1S/C11H8BrClN2O2/c1-6(16)4-15-5-14-10-3-8(12)9(13)2-7(10)11(15)17/h2-3,5H,4H2,1H3
InChIKeyRLTKHGHMTGFTQH-UHFFFAOYSA-N
MW315.55 g/mol
LogP2.40
Rot. Bonds2

About 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one

7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one (PubChem CID 143941840) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one
PubChem CID143941840
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one
SMILESCC(=O)Cn1cnc2cc(Br)c(Cl)cc2c1=O
InChIInChI=1S/C11H8BrClN2O2/c1-6(16)4-15-5-14-10-3-8(12)9(13)2-7(10)11(15)17/h2-3,5H,4H2,1H3
InChIKeyRLTKHGHMTGFTQH-UHFFFAOYSA-N
XLogP2.40
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one
CID 168812265
methyl N-[8-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-4,7-dioxooctyl]carbamate
CID 166036290
7-bromo-6-chloro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one
CID 46185640
[(2R,3S)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]pyrrolidin-3-yl] acetate
CID 58482419
7-bromo-6-chloro-3-[3-[(2R,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 159308608
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 169441110
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;hydrochloride
CID 169441109
(2S,3R)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-hydroxypiperidine-1-carboxylic acid
CID 58482420
5-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)pentyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 154701146
ethyl (3S)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-hydroxypiperidine-1-carboxylate
CID 177256978
[(2R,3S)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]pyrrolidin-3-yl] propanoate
CID 58482385
7-bromo-6-chloro-3-[2-[(3-hydroxypiperidin-2-yl)methyl]prop-2-enyl]quinazolin-4-one
CID 46184866

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one?
The IUPAC name of 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one (CID 143941840) is 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one?
The canonical SMILES for 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one is CC(=O)Cn1cnc2cc(Br)c(Cl)cc2c1=O.
What is the InChIKey of 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one?
The InChIKey is RLTKHGHMTGFTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c1-6(16)4-15-5-14-10-3-8(12)9(13)2-7(10)11(15)17/h2-3,5H,4H2,1H3.
What are the key properties of 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one?
7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one has a molecular weight of 315.55 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one is sourced from PubChem (CID 143941840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).