6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile

C19H19ClN6 — CID 133330210

IUPAC6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile
SMILESCn1cc(N2CCCC(Nc3c(C#N)cnc4ccc(Cl)cc34)C2)cn1
InChIInChI=1S/C19H19ClN6/c1-25-12-16(10-23-25)26-6-2-3-15(11-26)24-19-13(8-21)9-22-18-5-4-14(20)7-17(18)19/h4-5,7,9-10,12,15H,2-3,6,11H2,1H3,(H,22,24)
InChIKeyLIWSXNXJZLOFGD-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.57
Rot. Bonds3

About 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile

6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile (PubChem CID 133330210) has the molecular formula C19H19ClN6 and a molecular weight of 366.86 g/mol. Its IUPAC name is 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile
PubChem CID133330210
Molecular FormulaC19H19ClN6
Molecular Weight366.86 g/mol
Exact Mass366.14
IUPAC Name6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile
SMILESCn1cc(N2CCCC(Nc3c(C#N)cnc4ccc(Cl)cc34)C2)cn1
InChIInChI=1S/C19H19ClN6/c1-25-12-16(10-23-25)26-6-2-3-15(11-26)24-19-13(8-21)9-22-18-5-4-14(20)7-17(18)19/h4-5,7,9-10,12,15H,2-3,6,11H2,1H3,(H,22,24)
InChIKeyLIWSXNXJZLOFGD-UHFFFAOYSA-N
XLogP3.57
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
CID 133366599
2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-6-nitroquinoline-4-carbonitrile
CID 133330073
5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
CID 99848388
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167825702
2-[[3-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061882
6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile
CID 133318351
5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine
CID 146128765
6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 127602951
[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133330028
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
CID 75494330
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile (CID 133330210) is 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile is Cn1cc(N2CCCC(Nc3c(C#N)cnc4ccc(Cl)cc34)C2)cn1.
What is the InChIKey of 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile?
The InChIKey is LIWSXNXJZLOFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6/c1-25-12-16(10-23-25)26-6-2-3-15(11-26)24-19-13(8-21)9-22-18-5-4-14(20)7-17(18)19/h4-5,7,9-10,12,15H,2-3,6,11H2,1H3,(H,22,24).
What are the key properties of 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile?
6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile has a molecular weight of 366.86 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile is sourced from PubChem (CID 133330210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).