2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid

C45H45BCl2F2N8O2 — CID 157243087

IUPAC2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid
SMILESCCN(CC)c1ccc2nc(-c3ccc(F)nc3)ccc2c1.CCN(CC)c1ccc2nc(Cl)ccc2c1.Nc1ccc2nc(Cl)ccc2c1.OB(O)c1ccc(F)nc1
InChIInChI=1S/C18H18FN3.C13H15ClN2.C9H7ClN2.C5H5BFNO2/c1-3-22(4-2)15-7-9-16-13(11-15)5-8-17(21-16)14-6-10-18(19)20-12-14;1-3-16(4-2)11-6-7-12-10(9-11)5-8-13(14)15-12;10-9-4-1-6-5-7(11)2-3-8(6)12-9;7-5-2-1-4(3-8-5)6(9)10/h5-12H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;1-5H,11H2;1-3,9-10H
InChIKeyAVKXGECDVXWTKM-UHFFFAOYSA-N
MW849.62 g/mol
LogP9.39
Rot. Bonds8

About 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid

2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid (PubChem CID 157243087) has the molecular formula C45H45BCl2F2N8O2 and a molecular weight of 849.62 g/mol. Its IUPAC name is 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid
PubChem CID157243087
Molecular FormulaC45H45BCl2F2N8O2
Molecular Weight849.62 g/mol
Exact Mass848.31
IUPAC Name2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid
SMILESCCN(CC)c1ccc2nc(-c3ccc(F)nc3)ccc2c1.CCN(CC)c1ccc2nc(Cl)ccc2c1.Nc1ccc2nc(Cl)ccc2c1.OB(O)c1ccc(F)nc1
InChIInChI=1S/C18H18FN3.C13H15ClN2.C9H7ClN2.C5H5BFNO2/c1-3-22(4-2)15-7-9-16-13(11-15)5-8-17(21-16)14-6-10-18(19)20-12-14;1-3-16(4-2)11-6-7-12-10(9-11)5-8-13(14)15-12;10-9-4-1-6-5-7(11)2-3-8(6)12-9;7-5-2-1-4(3-8-5)6(9)10/h5-12H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;1-5H,11H2;1-3,9-10H
InChIKeyAVKXGECDVXWTKM-UHFFFAOYSA-N
XLogP9.39
TPSA137.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.62
LogP ≤ 59.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid 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,N-bis[(2-chloro-6-fluoroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162651803
7-chloro-4-[4-[(1E,3E)-5-[4-(7-chloroquinolin-4-yl)piperazin-1-ium-1-ylidene]-1,5-bis(4-fluorophenyl)penta-1,3-dienyl]piperazin-1-yl]quinoline tetrafluoroborate
CID 56589555
2-(2-chlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2,5-dichlorophenyl)-N-pyridin-4-ylquinolin-4-amine;2-(2-fluorophenyl)-N-[3-(trifluoromethyl)-4-pyridinyl]quinolin-4-amine;N-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 160626518
7-chloro-4-[4-[(1E,3E)-5-[4-(7-chloroquinolin-4-yl)piperazin-1-ium-1-ylidene]-1,5-bis(4-fluorophenyl)penta-1,3-dienyl]piperazin-1-yl]quinoline
CID 56589556
7-Chloro-4-[4-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-ium-1-ylidene]-1,5-bis(4-fluorophenyl)penta-1,3-dienyl]piperazin-1-yl]quinoline tetrafluoroborate
CID 76369349
7-Chloro-4-[4-[5-[4-(7-chloroquinolin-4-yl)piperazin-1-ium-1-ylidene]-1,5-bis(4-fluorophenyl)penta-1,3-dienyl]piperazin-1-yl]quinoline
CID 76369350
4-(3-Chloro-4-fluoroanilino)-6-(1-pyridin-2-ylethylamino)quinoline-3-carbonitrile
CID 69261860
4-(3-chloro-4-fluoroanilino)-6-[[(1R)-1-pyridin-2-ylethyl]amino]quinoline-3-carbonitrile;4-(3-chloro-4-fluoroanilino)-6-(1-pyridin-2-ylethylamino)quinoline-3-carbonitrile
CID 69261861
N-(7-chloroquinolin-4-yl)-N'-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N'-[3-[(7-methylquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 145016461
4-Chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 157077351
4-Chloro-5-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;4-chloro-7-fluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
CID 157093924
4-chloro-5-fluoro-3-methyl-2-pyridin-3-ylquinoline;2,5-dimorpholin-4-ylaniline;N-(2,5-dimorpholin-4-ylphenyl)-5-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-amine
CID 157143590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid?
The IUPAC name of 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid (CID 157243087) is 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid.
What is the SMILES notation for 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid?
The canonical SMILES for 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid is CCN(CC)c1ccc2nc(-c3ccc(F)nc3)ccc2c1.CCN(CC)c1ccc2nc(Cl)ccc2c1.Nc1ccc2nc(Cl)ccc2c1.OB(O)c1ccc(F)nc1.
What is the InChIKey of 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid?
The InChIKey is AVKXGECDVXWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3.C13H15ClN2.C9H7ClN2.C5H5BFNO2/c1-3-22(4-2)15-7-9-16-13(11-15)5-8-17(21-16)14-6-10-18(19)20-12-14;1-3-16(4-2)11-6-7-12-10(9-11)5-8-13(14)15-12;10-9-4-1-6-5-7(11)2-3-8(6)12-9;7-5-2-1-4(3-8-5)6(9)10/h5-12H,3-4H2,1-2H3;5-9H,3-4H2,1-2H3;1-5H,11H2;1-3,9-10H.
What are the key properties of 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid?
2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid has a molecular weight of 849.62 g/mol, XLogP of 9.39, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethylquinolin-6-amine;2-chloroquinolin-6-amine;N,N-diethyl-2-(6-fluoro-3-pyridinyl)quinolin-6-amine;(6-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 157243087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).