2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide

C26H19FN4O — CID 118213212

IUPAC2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc3cnccc3c2)nc1Cc1cnc2cc(F)ccc2c1
InChIInChI=1S/C26H19FN4O/c1-15-22(26(28)32)12-25(19-2-3-20-14-29-7-6-17(20)10-19)31-23(15)9-16-8-18-4-5-21(27)11-24(18)30-13-16/h2-8,10-14H,9H2,1H3,(H2,28,32)
InChIKeyYNWZECUVVBSZBF-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.98
Rot. Bonds4

About 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide

2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide (PubChem CID 118213212) has the molecular formula C26H19FN4O and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide
PubChem CID118213212
Molecular FormulaC26H19FN4O
Molecular Weight422.46 g/mol
Exact Mass422.15
IUPAC Name2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc3cnccc3c2)nc1Cc1cnc2cc(F)ccc2c1
InChIInChI=1S/C26H19FN4O/c1-15-22(26(28)32)12-25(19-2-3-20-14-29-7-6-17(20)10-19)31-23(15)9-16-8-18-4-5-21(27)11-24(18)30-13-16/h2-8,10-14H,9H2,1H3,(H2,28,32)
InChIKeyYNWZECUVVBSZBF-UHFFFAOYSA-N
XLogP4.98
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide?
The IUPAC name of 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide (CID 118213212) is 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide is Cc1c(C(N)=O)cc(-c2ccc3cnccc3c2)nc1Cc1cnc2cc(F)ccc2c1.
What is the InChIKey of 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide?
The InChIKey is YNWZECUVVBSZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O/c1-15-22(26(28)32)12-25(19-2-3-20-14-29-7-6-17(20)10-19)31-23(15)9-16-8-18-4-5-21(27)11-24(18)30-13-16/h2-8,10-14H,9H2,1H3,(H2,28,32).
What are the key properties of 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide?
2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoroquinolin-3-yl)methyl]-6-isoquinolin-6-yl-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 118213212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).