2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol

C20H21N3O — CID 58362670

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol
SMILESCN1CCN(c2ccc(-c3ccc4cc(O)ccc4n3)cc2)CC1
InChIInChI=1S/C20H21N3O/c1-22-10-12-23(13-11-22)17-5-2-15(3-6-17)19-8-4-16-14-18(24)7-9-20(16)21-19/h2-9,14,24H,10-13H2,1H3
InChIKeySEDVARCDSFCPGY-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.36
Rot. Bonds2

About 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol

2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol (PubChem CID 58362670) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol
PubChem CID58362670
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol
SMILESCN1CCN(c2ccc(-c3ccc4cc(O)ccc4n3)cc2)CC1
InChIInChI=1S/C20H21N3O/c1-22-10-12-23(13-11-22)17-5-2-15(3-6-17)19-8-4-16-14-18(24)7-9-20(16)21-19/h2-9,14,24H,10-13H2,1H3
InChIKeySEDVARCDSFCPGY-UHFFFAOYSA-N
XLogP3.36
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(1S,14R,15R)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
CID 44467662
(1S,14R,15R)-25-(2-methylpropyl)-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3,5,7,9,11,17(22),18,20-octaen-20-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol (CID 58362670) is 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol is CN1CCN(c2ccc(-c3ccc4cc(O)ccc4n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol?
The InChIKey is SEDVARCDSFCPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22-10-12-23(13-11-22)17-5-2-15(3-6-17)19-8-4-16-14-18(24)7-9-20(16)21-19/h2-9,14,24H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol?
2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol has a molecular weight of 319.41 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol is sourced from PubChem (CID 58362670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).