6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile

C19H20ClN5 — CID 133427882

IUPAC6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile
SMILESCCC(Nc1cc(C#N)c2cc(Cl)ccc2n1)c1c(C)nn(C)c1C
InChIInChI=1S/C19H20ClN5/c1-5-16(19-11(2)24-25(4)12(19)3)22-18-8-13(10-21)15-9-14(20)6-7-17(15)23-18/h6-9,16H,5H2,1-4H3,(H,22,23)
InChIKeyCKPVXWJPDZKSGZ-UHFFFAOYSA-N
MW353.86 g/mol
LogP4.67
Rot. Bonds4

About 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile

6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile (PubChem CID 133427882) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile
PubChem CID133427882
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile
SMILESCCC(Nc1cc(C#N)c2cc(Cl)ccc2n1)c1c(C)nn(C)c1C
InChIInChI=1S/C19H20ClN5/c1-5-16(19-11(2)24-25(4)12(19)3)22-18-8-13(10-21)15-9-14(20)6-7-17(15)23-18/h6-9,16H,5H2,1-4H3,(H,22,23)
InChIKeyCKPVXWJPDZKSGZ-UHFFFAOYSA-N
XLogP4.67
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]quinoline-4-carbonitrile
CID 133434714
(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide
CID 99783817
6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile
CID 133337280
6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile
CID 133490796
methyl 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]hexanoate
CID 133444283
6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
6-chloro-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-4-carbonitrile
CID 133309480
6-ethoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 99612743
6-chloro-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 133428808
6-chloro-2-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]quinoline-4-carbonitrile
CID 75440695
6-chloro-2-[4-(imidazol-1-ylmethyl)anilino]quinoline-4-carbonitrile
CID 133426085
N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine
CID 133331856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile (CID 133427882) is 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile is CCC(Nc1cc(C#N)c2cc(Cl)ccc2n1)c1c(C)nn(C)c1C.
What is the InChIKey of 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile?
The InChIKey is CKPVXWJPDZKSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-5-16(19-11(2)24-25(4)12(19)3)22-18-8-13(10-21)15-9-14(20)6-7-17(15)23-18/h6-9,16H,5H2,1-4H3,(H,22,23).
What are the key properties of 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile?
6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile has a molecular weight of 353.86 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 133427882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).