1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one

C16H21N3O2 — CID 117099745

IUPAC1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one
SMILESO=c1ccc2cc(N3CCNCC3)ccc2n1CCCO
InChIInChI=1S/C16H21N3O2/c20-11-1-8-19-15-4-3-14(18-9-6-17-7-10-18)12-13(15)2-5-16(19)21/h2-5,12,17,20H,1,6-11H2
InChIKeyRPVRCRKHVJFKFO-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.79
Rot. Bonds4

About 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one

1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one (PubChem CID 117099745) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one
PubChem CID117099745
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one
SMILESO=c1ccc2cc(N3CCNCC3)ccc2n1CCCO
InChIInChI=1S/C16H21N3O2/c20-11-1-8-19-15-4-3-14(18-9-6-17-7-10-18)12-13(15)2-5-16(19)21/h2-5,12,17,20H,1,6-11H2
InChIKeyRPVRCRKHVJFKFO-UHFFFAOYSA-N
XLogP0.79
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-piperazin-1-ylquinolin-2-one
CID 117099735
2-(2-oxo-6-piperazin-1-ylquinolin-1-yl)propanamide
CID 117099754
4-(3-hydroxypropyl)-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 39163477
7-fluoro-1-(3-hydroxypropyl)quinolin-2-one
CID 118936660
8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
CID 82213037
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
CID 10473020
2-(hydroxymethyl)-5-piperazin-1-ylphenol
CID 84780243
tert-butyl 2-(5-piperazin-1-ylindol-1-yl)acetate
CID 174621910
(2-methyl-5-piperazin-1-ylphenyl)methanol
CID 84779190
1-(2-oxo-1-prop-2-enylquinolin-6-yl)piperidine-3-carboxylic acid
CID 117099763
3-(7-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)propan-1-ol
CID 117236286

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one (CID 117099745) is 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one is O=c1ccc2cc(N3CCNCC3)ccc2n1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one?
The InChIKey is RPVRCRKHVJFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-11-1-8-19-15-4-3-14(18-9-6-17-7-10-18)12-13(15)2-5-16(19)21/h2-5,12,17,20H,1,6-11H2.
What are the key properties of 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one?
1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one has a molecular weight of 287.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one is sourced from PubChem (CID 117099745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).