6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide

C23H19ClFN5O3 — CID 145209161

IUPAC6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCOc1ccc(Cn2cnc(NC(=O)c3cc(C(N)=O)nc4cc(F)c(Cl)cc34)c2C)cc1
InChIInChI=1S/C23H19ClFN5O3/c1-12-22(27-11-30(12)10-13-3-5-14(33-2)6-4-13)29-23(32)16-8-20(21(26)31)28-19-9-18(25)17(24)7-15(16)19/h3-9,11H,10H2,1-2H3,(H2,26,31)(H,29,32)
InChIKeyVXYZHXIIYHJKHR-UHFFFAOYSA-N
MW467.89 g/mol
LogP3.94
Rot. Bonds6

About 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide

6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 145209161) has the molecular formula C23H19ClFN5O3 and a molecular weight of 467.89 g/mol. Its IUPAC name is 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide
PubChem CID145209161
Molecular FormulaC23H19ClFN5O3
Molecular Weight467.89 g/mol
Exact Mass467.12
IUPAC Name6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCOc1ccc(Cn2cnc(NC(=O)c3cc(C(N)=O)nc4cc(F)c(Cl)cc34)c2C)cc1
InChIInChI=1S/C23H19ClFN5O3/c1-12-22(27-11-30(12)10-13-3-5-14(33-2)6-4-13)29-23(32)16-8-20(21(26)31)28-19-9-18(25)17(24)7-15(16)19/h3-9,11H,10H2,1-2H3,(H2,26,31)(H,29,32)
InChIKeyVXYZHXIIYHJKHR-UHFFFAOYSA-N
XLogP3.94
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.89
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide?
The IUPAC name of 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide (CID 145209161) is 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide.
What is the SMILES notation for 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide?
The canonical SMILES for 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide is COc1ccc(Cn2cnc(NC(=O)c3cc(C(N)=O)nc4cc(F)c(Cl)cc34)c2C)cc1.
What is the InChIKey of 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide?
The InChIKey is VXYZHXIIYHJKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O3/c1-12-22(27-11-30(12)10-13-3-5-14(33-2)6-4-13)29-23(32)16-8-20(21(26)31)28-19-9-18(25)17(24)7-15(16)19/h3-9,11H,10H2,1-2H3,(H2,26,31)(H,29,32).
What are the key properties of 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide?
6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 467.89 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methylimidazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 145209161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).