[4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol

C20H16ClFN4O — CID 58525086

IUPAC[4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol
SMILESCc1cn(-c2ccc3ncc(CO)c(Nc4ccc(F)c(Cl)c4)c3c2)cn1
InChIInChI=1S/C20H16ClFN4O/c1-12-9-26(11-24-12)15-3-5-19-16(7-15)20(13(10-27)8-23-19)25-14-2-4-18(22)17(21)6-14/h2-9,11,27H,10H2,1H3,(H,23,25)
InChIKeyJXJYNGMNTQAITH-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.76
Rot. Bonds4

About [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol

[4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol (PubChem CID 58525086) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol
PubChem CID58525086
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name[4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol
SMILESCc1cn(-c2ccc3ncc(CO)c(Nc4ccc(F)c(Cl)c4)c3c2)cn1
InChIInChI=1S/C20H16ClFN4O/c1-12-9-26(11-24-12)15-3-5-19-16(7-15)20(13(10-27)8-23-19)25-14-2-4-18(22)17(21)6-14/h2-9,11,27H,10H2,1H3,(H,23,25)
InChIKeyJXJYNGMNTQAITH-UHFFFAOYSA-N
XLogP4.76
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol?
The IUPAC name of [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol (CID 58525086) is [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol.
What is the SMILES notation for [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol?
The canonical SMILES for [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol is Cc1cn(-c2ccc3ncc(CO)c(Nc4ccc(F)c(Cl)c4)c3c2)cn1.
What is the InChIKey of [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol?
The InChIKey is JXJYNGMNTQAITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c1-12-9-26(11-24-12)15-3-5-19-16(7-15)20(13(10-27)8-23-19)25-14-2-4-18(22)17(21)6-14/h2-9,11,27H,10H2,1H3,(H,23,25).
What are the key properties of [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol?
[4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol has a molecular weight of 382.83 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-fluoroanilino)-6-(4-methylimidazol-1-yl)quinolin-3-yl]methanol is sourced from PubChem (CID 58525086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).