6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile

C21H20ClN5 — CID 133318351

IUPAC6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C21H20ClN5/c22-17-4-5-19-18(11-17)21(16(12-23)14-25-19)26-13-15-6-7-24-20(10-15)27-8-2-1-3-9-27/h4-7,10-11,14H,1-3,8-9,13H2,(H,25,26)
InChIKeySOWMGSMBXGGFLV-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.76
Rot. Bonds4

About 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile

6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile (PubChem CID 133318351) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile
PubChem CID133318351
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC Name6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C21H20ClN5/c22-17-4-5-19-18(11-17)21(16(12-23)14-25-19)26-13-15-6-7-24-20(10-15)27-8-2-1-3-9-27/h4-7,10-11,14H,1-3,8-9,13H2,(H,25,26)
InChIKeySOWMGSMBXGGFLV-UHFFFAOYSA-N
XLogP4.76
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-3-carbonitrile
CID 133316765
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
6-chloro-4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile;hydrochloride
CID 71779770
6-chloro-4-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133318327
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
CID 133434869
4-[[[2-(azepan-1-yl)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119125452
4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69316825
6-chloro-4-[(2-phenyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 133353488
6-chloro-4-(2-thiomorpholin-4-ylsulfonylethylamino)quinoline-3-carbonitrile
CID 133320646
6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile
CID 133330210
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile (CID 133318351) is 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1NCc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile?
The InChIKey is SOWMGSMBXGGFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c22-17-4-5-19-18(11-17)21(16(12-23)14-25-19)26-13-15-6-7-24-20(10-15)27-8-2-1-3-9-27/h4-7,10-11,14H,1-3,8-9,13H2,(H,25,26).
What are the key properties of 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile?
6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile has a molecular weight of 377.88 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2-piperidin-1-yl-4-pyridinyl)methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133318351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).