2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine

C18H20BrF3N2O2 — CID 21094337

IUPAC2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine
SMILESCC(C)OC1=NC2=C(C(=C1)C(F)(F)F)C(=C(C=C2)Br)OC3CCCC3N
InChIInChI=1S/C18H20BrF3N2O2/c1-9(2)25-15-8-10(18(20,21)22)16-13(24-15)7-6-11(19)17(16)26-14-5-3-4-12(14)23/h6-9,12,14H,3-5,23H2,1-2H3
InChIKeyOODBVPHTCPYDFM-UHFFFAOYSA-N
MW433.30 g/mol
LogP4.90
Rot. Bonds4

About 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine

2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine (PubChem CID 21094337) has the molecular formula C18H20BrF3N2O2 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine.

Molecular Properties

Compound Name2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine
PubChem CID21094337
Molecular FormulaC18H20BrF3N2O2
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine
SMILESCC(C)OC1=NC2=C(C(=C1)C(F)(F)F)C(=C(C=C2)Br)OC3CCCC3N
InChIInChI=1S/C18H20BrF3N2O2/c1-9(2)25-15-8-10(18(20,21)22)16-13(24-15)7-6-11(19)17(16)26-14-5-3-4-12(14)23/h6-9,12,14H,3-5,23H2,1-2H3
InChIKeyOODBVPHTCPYDFM-UHFFFAOYSA-N
XLogP4.90
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity480

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

CID 21094336
CID 21094336
CID 21094339
CID 21094339
CID 21094340
CID 21094340
CID 21094341
CID 21094341
CID 21094342
CID 21094342
CID 21094343
CID 21094343
CID 21094346
CID 21094346
CID 21094351
CID 21094351
CID 21094356
CID 21094356
CID 21094363
CID 21094363
CID 21094380
CID 21094380
CID 21094383
CID 21094383

Frequently Asked Questions

What is the IUPAC name of 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine?
The IUPAC name of 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine (CID 21094337) is 2-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine.
What is the SMILES notation for 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine?
The canonical SMILES for 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine is CC(C)OC1=NC2=C(C(=C1)C(F)(F)F)C(=C(C=C2)Br)OC3CCCC3N.
What is the InChIKey of 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine?
The InChIKey is OODBVPHTCPYDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrF3N2O2/c1-9(2)25-15-8-10(18(20,21)22)16-13(24-15)7-6-11(19)17(16)26-14-5-3-4-12(14)23/h6-9,12,14H,3-5,23H2,1-2H3.
What are the key properties of 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine?
2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine has a molecular weight of 433.30 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-Bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxycyclopentan-1-amine is sourced from PubChem (CID 21094337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).