(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane

C20H29BrClNO2Si — CID 123485495

IUPAC(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H29BrClNO2Si/c1-12(2)26(13(3)4,14(5)6)25-11-17-19(22)16-10-15(21)8-9-18(16)23-20(17)24-7/h8-10,12-14H,11H2,1-7H3
InChIKeyGELHDGAVUUILPB-UHFFFAOYSA-N
MW458.90 g/mol
LogP7.35
Rot. Bonds7

About (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane

(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane (PubChem CID 123485495) has the molecular formula C20H29BrClNO2Si and a molecular weight of 458.90 g/mol. Its IUPAC name is (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane
PubChem CID123485495
Molecular FormulaC20H29BrClNO2Si
Molecular Weight458.90 g/mol
Exact Mass457.08
IUPAC Name(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H29BrClNO2Si/c1-12(2)26(13(3)4,14(5)6)25-11-17-19(22)16-10-15(21)8-9-18(16)23-20(17)24-7/h8-10,12-14H,11H2,1-7H3
InChIKeyGELHDGAVUUILPB-UHFFFAOYSA-N
XLogP7.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.90
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
CID 118022089
3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
CID 59766854
6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline
CID 138637241
6-bromo-4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinoline
CID 118021557
6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
ethyl 2-[[(6-bromo-4-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-methylamino]acetate
CID 59766858
(1S)-N-[(S)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-naphthalen-1-ylethanamine
CID 139236694
N-(6-bromo-2-chloroquinazolin-4-yl)acetamide
CID 133061494
2-(5-bromo-2-chlorophenyl)ethoxy-tri(propan-2-yl)silane
CID 168914954
3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine
CID 84815598
7-bromo-1-methoxyisoquinoline
CID 67491611
6-bromo-2-(4-bromophenyl)-3-methoxyquinoxaline
CID 57420227

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane (CID 123485495) is (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane is COc1nc2ccc(Br)cc2c(Cl)c1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane?
The InChIKey is GELHDGAVUUILPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrClNO2Si/c1-12(2)26(13(3)4,14(5)6)25-11-17-19(22)16-10-15(21)8-9-18(16)23-20(17)24-7/h8-10,12-14H,11H2,1-7H3.
What are the key properties of (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane?
(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane has a molecular weight of 458.90 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 123485495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).