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

C46H54Cl2N12O — CID 159618496

About 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

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 (PubChem CID 159618496) has the molecular formula C46H54Cl2N12O and a molecular weight of 861.93 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159618496
• Molecular Formula: C46H54Cl2N12O
• Molecular Weight: 861.93 g/mol
• Exact Mass: 860.39
• IUPAC Name: 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
• SMILES: C.Cc1cccc(C(C)N)n1.Cc1cccc(C(C)Nc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)n1.Cl.Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
• InChI: InChI=1S/C20H20N6.C17H17ClN4O.C8H12N2.CH4.ClH/c1-12-4-3-5-16(23-12)13(2)24-19-11-20(21)25-18-10-14(6-7-15(18)19)17-8-9-22-26-17;18-13-10-16(19)21-14-9-11(4-5-12(13)14)15-6-7-20-22(15)17-3-1-2-8-23-17;1-6-4-3-5-8(10-6)7(2)9;;/h3-11,13H,1-2H3,(H,22,26)(H3,21,24,25);4-7,9-10,17H,1-3,8H2,(H2,19,21);3-5,7H,9H2,1-2H3;1H4;1H
• InChIKey: SAUNUOJORXGMRK-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 197.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.93
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.Cc1cccc(C(C)N)n1.Cc1cccc(C(C)Nc2cc(N)nc3cc(-c4ccn[nH]4)ccc23)n1.Cl.Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.

What is the InChIKey of 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?

The InChIKey is SAUNUOJORXGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6.C17H17ClN4O.C8H12N2.CH4.ClH/c1-12-4-3-5-16(23-12)13(2)24-19-11-20(21)25-18-10-14(6-7-15(18)19)17-8-9-22-26-17;18-13-10-16(19)21-14-9-11(4-5-12(13)14)15-6-7-20-22(15)17-3-1-2-8-23-17;1-6-4-3-5-8(10-6)7(2)9;;/h3-11,13H,1-2H3,(H,22,26)(H3,21,24,25);4-7,9-10,17H,1-3,8H2,(H2,19,21);3-5,7H,9H2,1-2H3;1H4;1H.

What are the key properties of 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?

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 has a molecular weight of 861.93 g/mol, XLogP of 10.58, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159618496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).