7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride

C65H98BBr2Cl2N13O5 — CID 158656823

IUPAC7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
SMILESC.C.C.CC.CC1(C)OB(c2ccn[nH]2)OC1(C)C.Cl.NCCC1CCOCC1.Nc1cc(Cl)c2ccc(Br)cc2n1.Nc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCCC2CCOCC2)c2ccc(Br)cc2n1
InChIInChI=1S/C19H23N5O.C16H20BrN3O.C9H15BN2O2.C9H6BrClN2.C7H15NO.C2H6.3CH4.ClH/c20-19-12-17(21-7-3-13-5-9-25-10-6-13)15-2-1-14(11-18(15)23-19)16-4-8-22-24-16;17-12-1-2-13-14(10-16(18)20-15(13)9-12)19-6-3-11-4-7-21-8-5-11;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;8-4-1-7-2-5-9-6-3-7;1-2;;;;/h1-2,4,8,11-13H,3,5-7,9-10H2,(H,22,24)(H3,20,21,23);1-2,9-11H,3-8H2,(H3,18,19,20);5-6H,1-4H3,(H,11,12);1-4H,(H2,12,13);7H,1-6,8H2;1-2H3;3*1H4;1H
InChIKeyNJLNOPPTFLJPKH-UHFFFAOYSA-N
MW1383.11 g/mol
LogP15.30
Rot. Bonds12

About 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride

7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride (PubChem CID 158656823) has the molecular formula C65H98BBr2Cl2N13O5 and a molecular weight of 1383.11 g/mol. Its IUPAC name is 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
PubChem CID158656823
Molecular FormulaC65H98BBr2Cl2N13O5
Molecular Weight1383.11 g/mol
Exact Mass1379.57
IUPAC Name7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
SMILESC.C.C.CC.CC1(C)OB(c2ccn[nH]2)OC1(C)C.Cl.NCCC1CCOCC1.Nc1cc(Cl)c2ccc(Br)cc2n1.Nc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCCC2CCOCC2)c2ccc(Br)cc2n1
InChIInChI=1S/C19H23N5O.C16H20BrN3O.C9H15BN2O2.C9H6BrClN2.C7H15NO.C2H6.3CH4.ClH/c20-19-12-17(21-7-3-13-5-9-25-10-6-13)15-2-1-14(11-18(15)23-19)16-4-8-22-24-16;17-12-1-2-13-14(10-16(18)20-15(13)9-12)19-6-3-11-4-7-21-8-5-11;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;8-4-1-7-2-5-9-6-3-7;1-2;;;;/h1-2,4,8,11-13H,3,5-7,9-10H2,(H,22,24)(H3,20,21,23);1-2,9-11H,3-8H2,(H3,18,19,20);5-6H,1-4H3,(H,11,12);1-4H,(H2,12,13);7H,1-6,8H2;1-2H3;3*1H4;1H
InChIKeyNJLNOPPTFLJPKH-UHFFFAOYSA-N
XLogP15.30
TPSA270.32 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001383.11
LogP ≤ 515.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride 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

6-bromo-1H-indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(1H-indazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 157791551
7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-(2-pyridazin-3-ylethyl)quinoline-2,4-diamine;ethane;methane;7-(1H-pyrazol-5-yl)-4-N-(2-pyridazin-3-ylethyl)quinoline-2,4-diamine;2-pyridazin-3-ylethanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 158405471
4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;methane;1-(6-methyl-2-pyridinyl)ethanamine;4-N-[1-(6-methyl-2-pyridinyl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;hydrochloride
CID 159618496
4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;4,7-bis(1H-pyrazol-5-yl)quinolin-2-amine;7-bromo-4-chloroquinolin-2-amine;methanol;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 160864121
7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;methane;N-methylbutan-1-amine;4-N-[2-(oxan-4-yl)ethyl]-7-pyrazol-1-ylquinoline-2,4-diamine;1H-pyrazole
CID 161315980
7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline;4-(2-bromoethyl)morpholine;5-methyl-1-(oxan-2-yl)pyrazole;2-(2-morpholin-4-ylethyl)-7-(1H-pyrazol-5-yl)pyrazolo[3,4-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 162042843
7-bromo-4-chloro-1-oxidoquinolin-1-ium;7-bromo-4-chloroquinolin-2-amine;7-bromo-4-chloroquinoline;7-bromo-1H-quinolin-4-one;4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;7-(1H-pyrazol-5-yl)-4-N-(1H-pyrazol-5-ylmethyl)quinoline-2,4-diamine;2H-pyrrol-3-ylmethanamine
CID 167556219
4-chloro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine;1-(6-methyl-2-pyridinyl)ethanamine;4-N-[1-(6-methyl-2-pyridinyl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;hydrochloride
CID 167565083
7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-(2-pyridazin-3-ylethyl)quinoline-2,4-diamine;7-(1H-pyrazol-5-yl)-4-N-(2-pyridazin-3-ylethyl)quinoline-2,4-diamine;2-pyridazin-3-ylethanamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 167599511
3-[[2-amino-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-4-yl]amino]propanoic acid;3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one;7-bromo-4-chloroquinolin-2-amine;tert-butyl 3-[(2-amino-7-bromoquinolin-4-yl)amino]propanoate;tert-butyl 3-aminopropanoate;morpholine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 167611280
7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
CID 167635993
7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;N-methylbutan-1-amine;4-N-[2-(oxan-4-yl)ethyl]-7-pyrazol-1-ylquinoline-2,4-diamine;1H-pyrazole
CID 167688421

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?
The IUPAC name of 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride (CID 158656823) is 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride.
What is the SMILES notation for 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?
The canonical SMILES for 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride is C.C.C.CC.CC1(C)OB(c2ccn[nH]2)OC1(C)C.Cl.NCCC1CCOCC1.Nc1cc(Cl)c2ccc(Br)cc2n1.Nc1cc(NCCC2CCOCC2)c2ccc(-c3ccn[nH]3)cc2n1.Nc1cc(NCCC2CCOCC2)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?
The InChIKey is NJLNOPPTFLJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.C16H20BrN3O.C9H15BN2O2.C9H6BrClN2.C7H15NO.C2H6.3CH4.ClH/c20-19-12-17(21-7-3-13-5-9-25-10-6-13)15-2-1-14(11-18(15)23-19)16-4-8-22-24-16;17-12-1-2-13-14(10-16(18)20-15(13)9-12)19-6-3-11-4-7-21-8-5-11;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;10-5-1-2-6-7(11)4-9(12)13-8(6)3-5;8-4-1-7-2-5-9-6-3-7;1-2;;;;/h1-2,4,8,11-13H,3,5-7,9-10H2,(H,22,24)(H3,20,21,23);1-2,9-11H,3-8H2,(H3,18,19,20);5-6H,1-4H3,(H,11,12);1-4H,(H2,12,13);7H,1-6,8H2;1-2H3;3*1H4;1H.
What are the key properties of 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?
7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride has a molecular weight of 1383.11 g/mol, XLogP of 15.30, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloroquinolin-2-amine;7-bromo-4-N-[2-(oxan-4-yl)ethyl]quinoline-2,4-diamine;ethane;methane;2-(oxan-4-yl)ethanamine;4-N-[2-(oxan-4-yl)ethyl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 158656823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).