6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide

C25H28FN5O3 — CID 91565515

IUPAC6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide
SMILESCN1CCN(c2cc(F)cc3c(=O)cc(C(=O)Nc4ccccc4N4CCNCC4)oc23)CC1
InChIInChI=1S/C25H28FN5O3/c1-29-10-12-31(13-11-29)21-15-17(26)14-18-22(32)16-23(34-24(18)21)25(33)28-19-4-2-3-5-20(19)30-8-6-27-7-9-30/h2-5,14-16,27H,6-13H2,1H3,(H,28,33)
InChIKeyAOBDSXOEYATQHZ-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.35
Rot. Bonds4

About 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide

6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide (PubChem CID 91565515) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide
PubChem CID91565515
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide
SMILESCN1CCN(c2cc(F)cc3c(=O)cc(C(=O)Nc4ccccc4N4CCNCC4)oc23)CC1
InChIInChI=1S/C25H28FN5O3/c1-29-10-12-31(13-11-29)21-15-17(26)14-18-22(32)16-23(34-24(18)21)25(33)28-19-4-2-3-5-20(19)30-8-6-27-7-9-30/h2-5,14-16,27H,6-13H2,1H3,(H,28,33)
InChIKeyAOBDSXOEYATQHZ-UHFFFAOYSA-N
XLogP2.35
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide with MolForge

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Related Compounds

6-fluoro-4-oxo-8-piperazin-1-ylchromene-2-carboxylic acid
CID 22142224
N-(2-methyl-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
CID 91569187
N-(2-methoxy-4-morpholin-4-ylphenyl)-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxamide
CID 23533346
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
tert-butyl 4-[4-[[8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylate
CID 23533373
6-chloro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carboxylic acid
CID 22142205
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20855973
6-ethoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 23533300
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46807132

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide?
The IUPAC name of 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide (CID 91565515) is 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide?
The canonical SMILES for 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide is CN1CCN(c2cc(F)cc3c(=O)cc(C(=O)Nc4ccccc4N4CCNCC4)oc23)CC1.
What is the InChIKey of 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide?
The InChIKey is AOBDSXOEYATQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-29-10-12-31(13-11-29)21-15-17(26)14-18-22(32)16-23(34-24(18)21)25(33)28-19-4-2-3-5-20(19)30-8-6-27-7-9-30/h2-5,14-16,27H,6-13H2,1H3,(H,28,33).
What are the key properties of 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide?
6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-(2-piperazin-1-ylphenyl)chromene-2-carboxamide is sourced from PubChem (CID 91565515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).