4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline

C18H17BrFN3 — CID 170782326

IUPAC4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline
SMILES[2H]C([2H])([2H])N1CN=C(N2CCCc3c(Br)cccc32)c2c(F)cccc21
InChIInChI=1S/C18H17BrFN3/c1-22-11-21-18(17-14(20)7-3-9-16(17)22)23-10-4-5-12-13(19)6-2-8-15(12)23/h2-3,6-9H,4-5,10-11H2,1H3/i1D3
InChIKeyXRMIONYGPGTLQV-FIBGUPNXSA-N
MW377.28 g/mol
LogP4.19
Rot. Bonds1

About 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline

4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline (PubChem CID 170782326) has the molecular formula C18H17BrFN3 and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline.

Molecular Properties

Compound Name4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline
PubChem CID170782326
Molecular FormulaC18H17BrFN3
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline
SMILES[2H]C([2H])([2H])N1CN=C(N2CCCc3c(Br)cccc32)c2c(F)cccc21
InChIInChI=1S/C18H17BrFN3/c1-22-11-21-18(17-14(20)7-3-9-16(17)22)23-10-4-5-12-13(19)6-2-8-15(12)23/h2-3,6-9H,4-5,10-11H2,1H3/i1D3
InChIKeyXRMIONYGPGTLQV-FIBGUPNXSA-N
XLogP4.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline?
The IUPAC name of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline (CID 170782326) is 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline.
What is the SMILES notation for 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline?
The canonical SMILES for 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline is [2H]C([2H])([2H])N1CN=C(N2CCCc3c(Br)cccc32)c2c(F)cccc21.
What is the InChIKey of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline?
The InChIKey is XRMIONYGPGTLQV-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H17BrFN3/c1-22-11-21-18(17-14(20)7-3-9-16(17)22)23-10-4-5-12-13(19)6-2-8-15(12)23/h2-3,6-9H,4-5,10-11H2,1H3/i1D3.
What are the key properties of 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline?
4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline has a molecular weight of 377.28 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-5-fluoro-1-(trideuteriomethyl)-2H-quinazoline is sourced from PubChem (CID 170782326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).