6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile

C19H18ClN5 — CID 133341908

IUPAC6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile
SMILESCn1cc(CC2CCN(c3cc(C#N)c4cc(Cl)ccc4n3)C2)cn1
InChIInChI=1S/C19H18ClN5/c1-24-11-14(10-22-24)6-13-4-5-25(12-13)19-7-15(9-21)17-8-16(20)2-3-18(17)23-19/h2-3,7-8,10-11,13H,4-6,12H2,1H3
InChIKeyLGLXRQPSQHVSCL-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.56
Rot. Bonds3

About 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile

6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile (PubChem CID 133341908) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile
PubChem CID133341908
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC Name6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile
SMILESCn1cc(CC2CCN(c3cc(C#N)c4cc(Cl)ccc4n3)C2)cn1
InChIInChI=1S/C19H18ClN5/c1-24-11-14(10-22-24)6-13-4-5-25(12-13)19-7-15(9-21)17-8-16(20)2-3-18(17)23-19/h2-3,7-8,10-11,13H,4-6,12H2,1H3
InChIKeyLGLXRQPSQHVSCL-UHFFFAOYSA-N
XLogP3.56
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
CID 133341876
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133341927
6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile
CID 133304507
6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133455579
6-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 133453291
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-nitropyridine
CID 133341964
6-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carbonitrile
CID 133410643
3-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)benzonitrile
CID 133485116
3-methyl-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133341797
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137269952
4-[[1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl]methyl]-1-methylpyrazole
CID 133341896
2-[(3S)-3-methoxypyrrolidin-1-yl]-6-methylquinoline-4-carbonitrile
CID 156650909

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile (CID 133341908) is 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile is Cn1cc(CC2CCN(c3cc(C#N)c4cc(Cl)ccc4n3)C2)cn1.
What is the InChIKey of 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is LGLXRQPSQHVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c1-24-11-14(10-22-24)6-13-4-5-25(12-13)19-7-15(9-21)17-8-16(20)2-3-18(17)23-19/h2-3,7-8,10-11,13H,4-6,12H2,1H3.
What are the key properties of 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile?
6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 351.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 133341908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).