4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide

C27H24FN5O3 — CID 122431397

IUPAC4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCc3nc4cnccc4n3C)ccc12
InChIInChI=1S/C27H24FN5O3/c1-4-36-25-13-21(19-12-17(28)6-8-24(19)35-3)31-20-11-16(5-7-18(20)25)27(34)30-15-26-32-22-14-29-10-9-23(22)33(26)2/h5-14H,4,15H2,1-3H3,(H,30,34)
InChIKeyDRWMLCXFSHFKCU-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.66
Rot. Bonds7

About 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide

4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide (PubChem CID 122431397) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide
PubChem CID122431397
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Name4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCc3nc4cnccc4n3C)ccc12
InChIInChI=1S/C27H24FN5O3/c1-4-36-25-13-21(19-12-17(28)6-8-24(19)35-3)31-20-11-16(5-7-18(20)25)27(34)30-15-26-32-22-14-29-10-9-23(22)33(26)2/h5-14H,4,15H2,1-3H3,(H,30,34)
InChIKeyDRWMLCXFSHFKCU-UHFFFAOYSA-N
XLogP4.66
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide (CID 122431397) is 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide is CCOc1cc(-c2cc(F)ccc2OC)nc2cc(C(=O)NCc3nc4cnccc4n3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide?
The InChIKey is DRWMLCXFSHFKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-4-36-25-13-21(19-12-17(28)6-8-24(19)35-3)31-20-11-16(5-7-18(20)25)27(34)30-15-26-32-22-14-29-10-9-23(22)33(26)2/h5-14H,4,15H2,1-3H3,(H,30,34).
What are the key properties of 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide?
4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(5-fluoro-2-methoxyphenyl)-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).