7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide

C26H24FN3O4 — CID 11554412

IUPAC7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCn1c(=O)ccc2ccc(CN3CCC(NC(=O)c4cc(=O)c5ccc(F)cc5o4)CC3)cc21
InChIInChI=1S/C26H24FN3O4/c1-29-21-12-16(2-3-17(21)4-7-25(29)32)15-30-10-8-19(9-11-30)28-26(33)24-14-22(31)20-6-5-18(27)13-23(20)34-24/h2-7,12-14,19H,8-11,15H2,1H3,(H,28,33)
InChIKeyZWAQGKCYZQHRHG-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.18
Rot. Bonds4

About 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide

7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide (PubChem CID 11554412) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
PubChem CID11554412
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
SMILESCn1c(=O)ccc2ccc(CN3CCC(NC(=O)c4cc(=O)c5ccc(F)cc5o4)CC3)cc21
InChIInChI=1S/C26H24FN3O4/c1-29-21-12-16(2-3-17(21)4-7-25(29)32)15-30-10-8-19(9-11-30)28-26(33)24-14-22(31)20-6-5-18(27)13-23(20)34-24/h2-7,12-14,19H,8-11,15H2,1H3,(H,28,33)
InChIKeyZWAQGKCYZQHRHG-UHFFFAOYSA-N
XLogP3.18
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide (CID 11554412) is 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide is Cn1c(=O)ccc2ccc(CN3CCC(NC(=O)c4cc(=O)c5ccc(F)cc5o4)CC3)cc21.
What is the InChIKey of 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
The InChIKey is ZWAQGKCYZQHRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-29-21-12-16(2-3-17(21)4-7-25(29)32)15-30-10-8-19(9-11-30)28-26(33)24-14-22(31)20-6-5-18(27)13-23(20)34-24/h2-7,12-14,19H,8-11,15H2,1H3,(H,28,33).
What are the key properties of 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide?
7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-[(1-methyl-2-oxoquinolin-7-yl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11554412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).