2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol

C21H22ClN3O2 — CID 174683063

IUPAC2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol
SMILESCOc1cc(-c2ccc3nccc(N4CCN(C)CC4)c3c2)cc(Cl)c1O
InChIInChI=1S/C21H22ClN3O2/c1-24-7-9-25(10-8-24)19-5-6-23-18-4-3-14(11-16(18)19)15-12-17(22)21(26)20(13-15)27-2/h3-6,11-13,26H,7-10H2,1-2H3
InChIKeyQQQNJDWBYQGUEW-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol

2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol (PubChem CID 174683063) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol
PubChem CID174683063
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol
SMILESCOc1cc(-c2ccc3nccc(N4CCN(C)CC4)c3c2)cc(Cl)c1O
InChIInChI=1S/C21H22ClN3O2/c1-24-7-9-25(10-8-24)19-5-6-23-18-4-3-14(11-16(18)19)15-12-17(22)21(26)20(13-15)27-2/h3-6,11-13,26H,7-10H2,1-2H3
InChIKeyQQQNJDWBYQGUEW-UHFFFAOYSA-N
XLogP4.02
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
CID 22032346
2,4-bis[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinolin-3-yl]pentan-3-one
CID 175278654
1-[4-[3-acetyl-6-(3-chloro-4-hydroxy-5-methoxyphenyl)quinolin-4-yl]piperazin-1-yl]-2-aminoethanone
CID 123216616
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinoline
CID 59860128
5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
CID 70798379
4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine
CID 170641339
6-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)quinoline;molecular hydrogen;dihydrochloride
CID 159516056
2,4-bis[4-[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]piperazin-1-yl]-1,5-bis(dimethylamino)pentan-3-one
CID 175280451
1-[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[4-[(dimethylamino)methyl]piperidin-1-yl]quinolin-3-yl]-2-methylpropan-1-one
CID 66715306
2-chloro-4-[3-(cyclopropylmethyl)-4-[4-(morpholin-4-ylmethyl)anilino]quinolin-6-yl]-6-methoxyphenol
CID 118658942
(Z)-4-imino-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]but-2-enenitrile
CID 154534232
(3,4-dimethoxyphenyl)-[4-(6-methylquinolin-4-yl)piperazin-1-yl]methanone
CID 133468132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol (CID 174683063) is 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol is COc1cc(-c2ccc3nccc(N4CCN(C)CC4)c3c2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol?
The InChIKey is QQQNJDWBYQGUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-24-7-9-25(10-8-24)19-5-6-23-18-4-3-14(11-16(18)19)15-12-17(22)21(26)20(13-15)27-2/h3-6,11-13,26H,7-10H2,1-2H3.
What are the key properties of 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol?
2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol has a molecular weight of 383.88 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol is sourced from PubChem (CID 174683063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).