5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline

C15H23N3O — CID 82624054

IUPAC5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(N2CCN(C)CC2)cc2c1CCCN2
InChIInChI=1S/C15H23N3O/c1-17-6-8-18(9-7-17)12-10-14-13(4-3-5-16-14)15(11-12)19-2/h10-11,16H,3-9H2,1-2H3
InChIKeyMFOFSJFSYJWDPT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.81
Rot. Bonds2

About 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline

5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 82624054) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID82624054
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc(N2CCN(C)CC2)cc2c1CCCN2
InChIInChI=1S/C15H23N3O/c1-17-6-8-18(9-7-17)12-10-14-13(4-3-5-16-14)15(11-12)19-2/h10-11,16H,3-9H2,1-2H3
InChIKeyMFOFSJFSYJWDPT-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82384226
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
4-[7-(4-iodocyclohexyl)oxy-1,2,3,4,5,6-hexahydro-1-benzazocin-9-yl]morpholine
CID 139338382
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
6-methoxy-8,9-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 82158675
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667985

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 82624054) is 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline is COc1cc(N2CCN(C)CC2)cc2c1CCCN2.
What is the InChIKey of 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is MFOFSJFSYJWDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-6-8-18(9-7-17)12-10-14-13(4-3-5-16-14)15(11-12)19-2/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 261.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82624054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).