1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione

C24H31ClFN3O4Si — CID 156678309

IUPAC1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione
SMILESCC(C)c1nccc(OCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C24H31ClFN3O4Si/c1-14(2)20-21(19(8-9-27-20)32-10-11-33-34(6,7)24(3,4)5)29-18-13-16(25)17(26)12-15(18)22(30)28-23(29)31/h8-9,12-14H,10-11H2,1-7H3,(H,28,30,31)
InChIKeyDXOWGKFYMWXXID-UHFFFAOYSA-N
MW508.07 g/mol
LogP5.39
Rot. Bonds7

About 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione

1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione (PubChem CID 156678309) has the molecular formula C24H31ClFN3O4Si and a molecular weight of 508.07 g/mol. Its IUPAC name is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione
PubChem CID156678309
Molecular FormulaC24H31ClFN3O4Si
Molecular Weight508.07 g/mol
Exact Mass507.18
IUPAC Name1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione
SMILESCC(C)c1nccc(OCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C24H31ClFN3O4Si/c1-14(2)20-21(19(8-9-27-20)32-10-11-33-34(6,7)24(3,4)5)29-18-13-16(25)17(26)12-15(18)22(30)28-23(29)31/h8-9,12-14H,10-11H2,1-7H3,(H,28,30,31)
InChIKeyDXOWGKFYMWXXID-UHFFFAOYSA-N
XLogP5.39
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.07
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione
CID 154593935
tert-butyl (2R,5S)-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
CID 156678358
6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 151655175
N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 156678411
8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 172734959
methyl 3-[[3-[7-(2-amino-6-fluorophenyl)-6-fluoro-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-2-propan-2-yl-4-pyridinyl]sulfanyl]propanoate
CID 155448325
tert-butyl (2R,5S)-4-[1-[4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethyl]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
CID 156678418
tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
CID 141107768
tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
CID 141341558
tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane
CID 171372611
5-chloro-8-fluoro-7-methoxy-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione;5,7-dichloro-8-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 167573891
2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chloro-3-fluorophenyl)ethanamine
CID 146156914

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione?
The IUPAC name of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione (CID 156678309) is 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione.
What is the SMILES notation for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione?
The canonical SMILES for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione is CC(C)c1nccc(OCCO[Si](C)(C)C(C)(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)cc21.
What is the InChIKey of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione?
The InChIKey is DXOWGKFYMWXXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClFN3O4Si/c1-14(2)20-21(19(8-9-27-20)32-10-11-33-34(6,7)24(3,4)5)29-18-13-16(25)17(26)12-15(18)22(30)28-23(29)31/h8-9,12-14H,10-11H2,1-7H3,(H,28,30,31).
What are the key properties of 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione?
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione has a molecular weight of 508.07 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione is sourced from PubChem (CID 156678309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).