8-piperazin-1-yl-6-propan-2-yloxyquinoline

C16H21N3O — CID 141025373

IUPAC8-piperazin-1-yl-6-propan-2-yloxyquinoline
SMILESCC(C)Oc1cc(N2CCNCC2)c2ncccc2c1
InChIInChI=1S/C16H21N3O/c1-12(2)20-14-10-13-4-3-5-18-16(13)15(11-14)19-8-6-17-7-9-19/h3-5,10-12,17H,6-9H2,1-2H3
InChIKeyJLXRLRQVBQUTLD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds3

About 8-piperazin-1-yl-6-propan-2-yloxyquinoline

8-piperazin-1-yl-6-propan-2-yloxyquinoline (PubChem CID 141025373) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 8-piperazin-1-yl-6-propan-2-yloxyquinoline.

Molecular Properties

Compound Name8-piperazin-1-yl-6-propan-2-yloxyquinoline
PubChem CID141025373
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name8-piperazin-1-yl-6-propan-2-yloxyquinoline
SMILESCC(C)Oc1cc(N2CCNCC2)c2ncccc2c1
InChIInChI=1S/C16H21N3O/c1-12(2)20-14-10-13-4-3-5-18-16(13)15(11-14)19-8-6-17-7-9-19/h3-5,10-12,17H,6-9H2,1-2H3
InChIKeyJLXRLRQVBQUTLD-UHFFFAOYSA-N
XLogP2.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide
CID 18414144
tert-butyl 4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepane-1-carboxylate;8-(1,4-diazepan-1-yl)-6-propan-2-ylquinoline;methane;hydrochloride
CID 160801055
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367
6-(1-piperidin-4-ylethoxy)quinoline
CID 117051472
1-[2-(difluoromethoxy)-3-pyridinyl]piperazine
CID 139512635
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
2-cyclopropyl-6-piperazin-1-yl-4-propan-2-yloxybenzonitrile
CID 171779994
8-(4,4-difluoropiperidin-1-yl)quinolin-6-amine
CID 170328485
1-(6-methoxyquinolin-8-yl)pyrrolidine-2,5-dione
CID 608395
(2-piperazin-1-yl-3-pyridinyl)boronic acid
CID 53445093
2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 96761843
6-methoxy-8-[4-[1-(5-methylquinolin-8-yl)piperidin-4-yl]piperazin-1-yl]quinoline
CID 59827333

Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-yl-6-propan-2-yloxyquinoline?
The IUPAC name of 8-piperazin-1-yl-6-propan-2-yloxyquinoline (CID 141025373) is 8-piperazin-1-yl-6-propan-2-yloxyquinoline.
What is the SMILES notation for 8-piperazin-1-yl-6-propan-2-yloxyquinoline?
The canonical SMILES for 8-piperazin-1-yl-6-propan-2-yloxyquinoline is CC(C)Oc1cc(N2CCNCC2)c2ncccc2c1.
What is the InChIKey of 8-piperazin-1-yl-6-propan-2-yloxyquinoline?
The InChIKey is JLXRLRQVBQUTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)20-14-10-13-4-3-5-18-16(13)15(11-14)19-8-6-17-7-9-19/h3-5,10-12,17H,6-9H2,1-2H3.
What are the key properties of 8-piperazin-1-yl-6-propan-2-yloxyquinoline?
8-piperazin-1-yl-6-propan-2-yloxyquinoline has a molecular weight of 271.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-yl-6-propan-2-yloxyquinoline is sourced from PubChem (CID 141025373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).