6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride

C19H27Cl2N5 — CID 159516056

IUPAC6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride
SMILESCc1n[nH]c(C)c1-c1ccc2nccc(N3CCN(C)CC3)c2c1.Cl.Cl.[H][H]
InChIInChI=1S/C19H23N5.2ClH.H2/c1-13-19(14(2)22-21-13)15-4-5-17-16(12-15)18(6-7-20-17)24-10-8-23(3)9-11-24;;;/h4-7,12H,8-11H2,1-3H3,(H,21,22);3*1H
InChIKeyWERWCJVTXVNQPV-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.08
Rot. Bonds2

About 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride

6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride (PubChem CID 159516056) has the molecular formula C19H27Cl2N5 and a molecular weight of 396.37 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride.

Molecular Properties

Compound Name6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride
PubChem CID159516056
Molecular FormulaC19H27Cl2N5
Molecular Weight396.37 g/mol
Exact Mass395.16
IUPAC Name6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride
SMILESCc1n[nH]c(C)c1-c1ccc2nccc(N3CCN(C)CC3)c2c1.Cl.Cl.[H][H]
InChIInChI=1S/C19H23N5.2ClH.H2/c1-13-19(14(2)22-21-13)15-4-5-17-16(12-15)18(6-7-20-17)24-10-8-23(3)9-11-24;;;/h4-7,12H,8-11H2,1-3H3,(H,21,22);3*1H
InChIKeyWERWCJVTXVNQPV-UHFFFAOYSA-N
XLogP4.08
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
CID 22032346
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 59860128
2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol
CID 174683063
5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
CID 70798379
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinoline
CID 23537619
4-(azepan-1-yl)-6-methylquinoline
CID 133466822
6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)quinoline
CID 68812028
6-methyl-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline
CID 133467548
4-[(3R)-3-methoxypyrrolidin-1-yl]-6-(5-methyl-1H-pyrazol-4-yl)quinoline;dihydrochloride
CID 68811812
1-(6-fluoroquinolin-4-yl)piperidin-4-one
CID 95929822
1-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-quinolin-6-ylurea
CID 54145553
4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
CID 132554244

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride?
The IUPAC name of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride (CID 159516056) is 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride.
What is the SMILES notation for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride?
The canonical SMILES for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride is Cc1n[nH]c(C)c1-c1ccc2nccc(N3CCN(C)CC3)c2c1.Cl.Cl.[H][H].
What is the InChIKey of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride?
The InChIKey is WERWCJVTXVNQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.2ClH.H2/c1-13-19(14(2)22-21-13)15-4-5-17-16(12-15)18(6-7-20-17)24-10-8-23(3)9-11-24;;;/h4-7,12H,8-11H2,1-3H3,(H,21,22);3*1H.
What are the key properties of 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride?
6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride has a molecular weight of 396.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride is sourced from PubChem (CID 159516056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).