2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol

C26H27ClFN5O — CID 118658953

IUPAC2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol
SMILESCCc1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(NCCN(C)C)nc1
InChIInChI=1S/C26H27ClFN5O/c1-4-16-14-30-23-7-5-17(18-12-21(27)26(34)22(28)13-18)11-20(23)25(16)32-19-6-8-24(31-15-19)29-9-10-33(2)3/h5-8,11-15,34H,4,9-10H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyLWVZIICAJVMLAO-UHFFFAOYSA-N
MW479.99 g/mol
LogP6.07
Rot. Bonds8

About 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol

2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol (PubChem CID 118658953) has the molecular formula C26H27ClFN5O and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol.

Molecular Properties

Compound Name2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol
PubChem CID118658953
Molecular FormulaC26H27ClFN5O
Molecular Weight479.99 g/mol
Exact Mass479.19
IUPAC Name2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol
SMILESCCc1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(NCCN(C)C)nc1
InChIInChI=1S/C26H27ClFN5O/c1-4-16-14-30-23-7-5-17(18-12-21(27)26(34)22(28)13-18)11-20(23)25(16)32-19-6-8-24(31-15-19)29-9-10-33(2)3/h5-8,11-15,34H,4,9-10H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyLWVZIICAJVMLAO-UHFFFAOYSA-N
XLogP6.07
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol with MolForge

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Related Compounds

2-chloro-4-[4-[4-[(dimethylamino)methyl]anilino]-3-ethyl-7-methylquinolin-6-yl]-6-fluorophenol
CID 118658946
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]quinolin-3-yl]ethanone
CID 66715945
[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[4-[2-[cyclopropyl(methyl)amino]ethyl]anilino]quinolin-3-yl]-cyclopropylmethanone
CID 163617926
2-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-3-yl]acetaldehyde
CID 87121052
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]propan-2-one
CID 66715365
(2S)-2-[[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[6-(piperidin-3-ylamino)-3-pyridinyl]amino]quinolin-3-yl]-cyclopropylamino]-4-methylsulfanylbutanoic acid
CID 118658994
1,2,2-tris[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-3-yl]cyclopropane-1-carbaldehyde
CID 142767062
1,2,2-tris[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]amino]quinolin-3-yl]cyclopropane-1-carbaldehyde;hydrochloride
CID 142767061
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]ethanone;methane
CID 161417725
2,6-dichloro-4-[3-(cyclopropylmethyl)-4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]phenol
CID 118659041
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(cyclohexylamino)quinolin-3-yl]ethanone
CID 123548412
2,6-dichloro-4-[4-[[6-[2-(methylamino)ethoxy]-3-pyridinyl]amino]-3-methylsulfonylquinolin-6-yl]phenol
CID 123149229

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol?
The IUPAC name of 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol (CID 118658953) is 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol.
What is the SMILES notation for 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol?
The canonical SMILES for 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol is CCc1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(NCCN(C)C)nc1.
What is the InChIKey of 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol?
The InChIKey is LWVZIICAJVMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN5O/c1-4-16-14-30-23-7-5-17(18-12-21(27)26(34)22(28)13-18)11-20(23)25(16)32-19-6-8-24(31-15-19)29-9-10-33(2)3/h5-8,11-15,34H,4,9-10H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol?
2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol has a molecular weight of 479.99 g/mol, XLogP of 6.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]amino]-3-ethylquinolin-6-yl]-6-fluorophenol is sourced from PubChem (CID 118658953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).