6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile

C19H23ClN4O — CID 133304507

IUPAC6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile
SMILESCN(CCCO)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H23ClN4O/c1-23(7-2-10-25)16-5-8-24(9-6-16)19-11-14(13-21)17-12-15(20)3-4-18(17)22-19/h3-4,11-12,16,25H,2,5-10H2,1H3
InChIKeyOHIGKCLZHVOPQJ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.04
Rot. Bonds5

About 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile

6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile (PubChem CID 133304507) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile
PubChem CID133304507
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile
SMILESCN(CCCO)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H23ClN4O/c1-23(7-2-10-25)16-5-8-24(9-6-16)19-11-14(13-21)17-12-15(20)3-4-18(17)22-19/h3-4,11-12,16,25H,2,5-10H2,1H3
InChIKeyOHIGKCLZHVOPQJ-UHFFFAOYSA-N
XLogP3.04
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile (CID 133304507) is 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile is CN(CCCO)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is OHIGKCLZHVOPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-23(7-2-10-25)16-5-8-24(9-6-16)19-11-14(13-21)17-12-15(20)3-4-18(17)22-19/h3-4,11-12,16,25H,2,5-10H2,1H3.
What are the key properties of 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile?
6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 358.87 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 133304507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).