8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine

C111H99Cl4F9N12O7 — CID 158632343

IUPAC8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
SMILESCCCc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1.CCc1cc(OC(F)(F)F)ccc1Nc1ccc2ccccc2n1.COCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1.COc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1.Cc1cc(OC(C)C)ccc1Nc1ccc2cccc(Cl)c2n1.FC(F)(F)Oc1ccc(Nc2ccc3ccccc3n2)c(C2CC2)c1
InChIInChI=1S/C19H16ClF3N2O.C19H19ClN2O2.C19H19ClN2O.C19H15F3N2O.C18H15F3N2O.C17H15ClN2O/c1-2-4-13-11-14(26-19(21,22)23)8-9-16(13)24-17-10-7-12-5-3-6-15(20)18(12)25-17;1-13-12-15(24-11-10-23-2)7-8-17(13)21-18-9-6-14-4-3-5-16(20)19(14)22-18;1-12(2)23-15-8-9-17(13(3)11-15)21-18-10-7-14-5-4-6-16(20)19(14)22-18;20-19(21,22)25-14-8-9-17(15(11-14)12-5-6-12)24-18-10-7-13-3-1-2-4-16(13)23-18;1-2-12-11-14(24-18(19,20)21)8-9-16(12)23-17-10-7-13-5-3-4-6-15(13)22-17;1-11-10-13(21-2)7-8-15(11)19-16-9-6-12-4-3-5-14(18)17(12)20-16/h3,5-11H,2,4H2,1H3,(H,24,25);3-9,12H,10-11H2,1-2H3,(H,21,22);4-12H,1-3H3,(H,21,22);1-4,7-12H,5-6H2,(H,23,24);3-11H,2H2,1H3,(H,22,23);3-10H,1-2H3,(H,19,20)
InChIKeyHZITVBDBPFRRAR-UHFFFAOYSA-N
MW2025.88 g/mol
LogP33.32
Rot. Bonds26

About 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine

8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine (PubChem CID 158632343) has the molecular formula C111H99Cl4F9N12O7 and a molecular weight of 2025.88 g/mol. Its IUPAC name is 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
PubChem CID158632343
Molecular FormulaC111H99Cl4F9N12O7
Molecular Weight2025.88 g/mol
Exact Mass2022.64
IUPAC Name8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
SMILESCCCc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1.CCc1cc(OC(F)(F)F)ccc1Nc1ccc2ccccc2n1.COCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1.COc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1.Cc1cc(OC(C)C)ccc1Nc1ccc2cccc(Cl)c2n1.FC(F)(F)Oc1ccc(Nc2ccc3ccccc3n2)c(C2CC2)c1
InChIInChI=1S/C19H16ClF3N2O.C19H19ClN2O2.C19H19ClN2O.C19H15F3N2O.C18H15F3N2O.C17H15ClN2O/c1-2-4-13-11-14(26-19(21,22)23)8-9-16(13)24-17-10-7-12-5-3-6-15(20)18(12)25-17;1-13-12-15(24-11-10-23-2)7-8-17(13)21-18-9-6-14-4-3-5-16(20)19(14)22-18;1-12(2)23-15-8-9-17(13(3)11-15)21-18-10-7-14-5-4-6-16(20)19(14)22-18;20-19(21,22)25-14-8-9-17(15(11-14)12-5-6-12)24-18-10-7-13-3-1-2-4-16(13)23-18;1-2-12-11-14(24-18(19,20)21)8-9-16(12)23-17-10-7-13-5-3-4-6-15(13)22-17;1-11-10-13(21-2)7-8-15(11)19-16-9-6-12-4-3-5-14(18)17(12)20-16/h3,5-11H,2,4H2,1H3,(H,24,25);3-9,12H,10-11H2,1-2H3,(H,21,22);4-12H,1-3H3,(H,21,22);1-4,7-12H,5-6H2,(H,23,24);3-11H,2H2,1H3,(H,22,23);3-10H,1-2H3,(H,19,20)
InChIKeyHZITVBDBPFRRAR-UHFFFAOYSA-N
XLogP33.32
TPSA214.13 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002025.88
LogP ≤ 533.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-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

N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 146295747
8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine
CID 146299498
8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine
CID 146299492
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
CID 118665746
8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine
CID 146299494
4-(difluoromethoxy)-2-ethyl-1-methylbenzene;2-ethyl-1-methyl-4-propan-2-yloxybenzene;2-ethyl-1-methyl-4-(trifluoromethoxy)benzene
CID 91000762
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
N-(4-propan-2-yloxyphenyl)quinolin-2-amine
CID 82535846
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
CID 11235486
2-[2-cyclopropyl-5-[[4-(2-propan-2-yloxypyrimidin-5-yl)-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methoxy]phenyl]acetic acid
CID 16722545
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The IUPAC name of 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine (CID 158632343) is 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The canonical SMILES for 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine is CCCc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1.CCc1cc(OC(F)(F)F)ccc1Nc1ccc2ccccc2n1.COCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1.COc1ccc(Nc2ccc3cccc(Cl)c3n2)c(C)c1.Cc1cc(OC(C)C)ccc1Nc1ccc2cccc(Cl)c2n1.FC(F)(F)Oc1ccc(Nc2ccc3ccccc3n2)c(C2CC2)c1.
What is the InChIKey of 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine?
The InChIKey is HZITVBDBPFRRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O.C19H19ClN2O2.C19H19ClN2O.C19H15F3N2O.C18H15F3N2O.C17H15ClN2O/c1-2-4-13-11-14(26-19(21,22)23)8-9-16(13)24-17-10-7-12-5-3-6-15(20)18(12)25-17;1-13-12-15(24-11-10-23-2)7-8-17(13)21-18-9-6-14-4-3-5-16(20)19(14)22-18;1-12(2)23-15-8-9-17(13(3)11-15)21-18-10-7-14-5-4-6-16(20)19(14)22-18;20-19(21,22)25-14-8-9-17(15(11-14)12-5-6-12)24-18-10-7-13-3-1-2-4-16(13)23-18;1-2-12-11-14(24-18(19,20)21)8-9-16(12)23-17-10-7-13-5-3-4-6-15(13)22-17;1-11-10-13(21-2)7-8-15(11)19-16-9-6-12-4-3-5-14(18)17(12)20-16/h3,5-11H,2,4H2,1H3,(H,24,25);3-9,12H,10-11H2,1-2H3,(H,21,22);4-12H,1-3H3,(H,21,22);1-4,7-12H,5-6H2,(H,23,24);3-11H,2H2,1H3,(H,22,23);3-10H,1-2H3,(H,19,20).
What are the key properties of 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine?
8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine has a molecular weight of 2025.88 g/mol, XLogP of 33.32, 26 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine is sourced from PubChem (CID 158632343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).