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

C14H16BrClN2O2Si — CID 168812265

IUPAC7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one
SMILESC=C(Cn1cnc2cc(Br)c(Cl)cc2c1=O)O[Si](C)(C)C
InChIInChI=1S/C14H16BrClN2O2Si/c1-9(20-21(2,3)4)7-18-8-17-13-6-11(15)12(16)5-10(13)14(18)19/h5-6,8H,1,7H2,2-4H3
InChIKeyCOWJATTZSMEQOV-UHFFFAOYSA-N
MW387.74 g/mol
LogP4.18
Rot. Bonds4

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

7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one (PubChem CID 168812265) has the molecular formula C14H16BrClN2O2Si and a molecular weight of 387.74 g/mol. Its IUPAC name is 7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one
PubChem CID168812265
Molecular FormulaC14H16BrClN2O2Si
Molecular Weight387.74 g/mol
Exact Mass385.99
IUPAC Name7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one
SMILESC=C(Cn1cnc2cc(Br)c(Cl)cc2c1=O)O[Si](C)(C)C
InChIInChI=1S/C14H16BrClN2O2Si/c1-9(20-21(2,3)4)7-18-8-17-13-6-11(15)12(16)5-10(13)14(18)19/h5-6,8H,1,7H2,2-4H3
InChIKeyCOWJATTZSMEQOV-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-bromo-6-chloro-3-(2-oxopropyl)quinazolin-4-one
CID 143941840
methyl N-[8-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-4,7-dioxooctyl]carbamate
CID 166036290
7-bromo-6-chloro-3-[2-[(3-hydroxypiperidin-2-yl)methyl]prop-2-enyl]quinazolin-4-one
CID 46184866
7-bromo-6-chloro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one
CID 46185640
5-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)pentyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 154701146
[(2R,3S)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]pyrrolidin-3-yl] acetate
CID 58482419
ethyl (3S)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-hydroxypiperidine-1-carboxylate
CID 177256978
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
[(2R,3S)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]pyrrolidin-3-yl] propanoate
CID 58482385
(2S,3R)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-hydroxypiperidine-1-carboxylic acid
CID 58482420
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;hydrochloride
CID 169441109

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one?
The IUPAC name of 7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one (CID 168812265) is 7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one.
What is the SMILES notation for 7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one?
The canonical SMILES for 7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one is C=C(Cn1cnc2cc(Br)c(Cl)cc2c1=O)O[Si](C)(C)C.
What is the InChIKey of 7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one?
The InChIKey is COWJATTZSMEQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2Si/c1-9(20-21(2,3)4)7-18-8-17-13-6-11(15)12(16)5-10(13)14(18)19/h5-6,8H,1,7H2,2-4H3.
What are the key properties of 7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one?
7-bromo-6-chloro-3-(2-trimethylsilyloxyprop-2-enyl)quinazolin-4-one has a molecular weight of 387.74 g/mol, XLogP of 4.18, 4 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-trimethylsilyloxyprop-2-enyl)quinazolin-4-one is sourced from PubChem (CID 168812265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).