5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline

C17H22ClN3 — CID 87016276

IUPAC5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
SMILESCC(C)N1CCN(Cc2ccc(Cl)c3cccnc23)CC1
InChIInChI=1S/C17H22ClN3/c1-13(2)21-10-8-20(9-11-21)12-14-5-6-16(18)15-4-3-7-19-17(14)15/h3-7,13H,8-12H2,1-2H3
InChIKeySHHSUWWMCYCNAE-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.41
Rot. Bonds3

About 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline

5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 87016276) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
PubChem CID87016276
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
SMILESCC(C)N1CCN(Cc2ccc(Cl)c3cccnc23)CC1
InChIInChI=1S/C17H22ClN3/c1-13(2)21-10-8-20(9-11-21)12-14-5-6-16(18)15-4-3-7-19-17(14)15/h3-7,13H,8-12H2,1-2H3
InChIKeySHHSUWWMCYCNAE-UHFFFAOYSA-N
XLogP3.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
CID 115741490
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55827715
8-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-chloroquinoline;hydrochloride
CID 120661005
4-[(5-chloroquinolin-8-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 55846401
5-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 60505532
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
N-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperazin-1-amine
CID 115959485
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
CID 112617852

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline (CID 87016276) is 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline is CC(C)N1CCN(Cc2ccc(Cl)c3cccnc23)CC1.
What is the InChIKey of 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is SHHSUWWMCYCNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-13(2)21-10-8-20(9-11-21)12-14-5-6-16(18)15-4-3-7-19-17(14)15/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline?
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline has a molecular weight of 303.84 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 87016276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).