1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide

C26H24FN5O2 — CID 50997275

IUPAC1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide
SMILESCN1CCN(c2cnc3cccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c3c2)CC1
InChIInChI=1S/C26H24FN5O2/c1-30-12-14-31(15-13-30)20-16-22-23(28-17-20)5-2-6-24(22)29-25(33)21-4-3-11-32(26(21)34)19-9-7-18(27)8-10-19/h2-11,16-17H,12-15H2,1H3,(H,29,33)
InChIKeyCDUQEMNXQQKVTM-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide

1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide (PubChem CID 50997275) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide
PubChem CID50997275
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide
SMILESCN1CCN(c2cnc3cccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c3c2)CC1
InChIInChI=1S/C26H24FN5O2/c1-30-12-14-31(15-13-30)20-16-22-23(28-17-20)5-2-6-24(22)29-25(33)21-4-3-11-32(26(21)34)19-9-7-18(27)8-10-19/h2-11,16-17H,12-15H2,1H3,(H,29,33)
InChIKeyCDUQEMNXQQKVTM-UHFFFAOYSA-N
XLogP3.53
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide (CID 50997275) is 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide is CN1CCN(c2cnc3cccc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)c3c2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is CDUQEMNXQQKVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-30-12-14-31(15-13-30)20-16-22-23(28-17-20)5-2-6-24(22)29-25(33)21-4-3-11-32(26(21)34)19-9-7-18(27)8-10-19/h2-11,16-17H,12-15H2,1H3,(H,29,33).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)quinolin-5-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 50997275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).