1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

C24H25F2N5O2 — CID 56504447

IUPAC1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
SMILESCc1nc2cc(F)cc(C(=O)N3CCCC(CNC(=O)Nc4cccc(F)c4)C3)c2nc1C
InChIInChI=1S/C24H25F2N5O2/c1-14-15(2)29-22-20(10-18(26)11-21(22)28-14)23(32)31-8-4-5-16(13-31)12-27-24(33)30-19-7-3-6-17(25)9-19/h3,6-7,9-11,16H,4-5,8,12-13H2,1-2H3,(H2,27,30,33)
InChIKeyGBSVPWJHCMXFGF-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.20
Rot. Bonds4

About 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea (PubChem CID 56504447) has the molecular formula C24H25F2N5O2 and a molecular weight of 453.49 g/mol. Its IUPAC name is 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
PubChem CID56504447
Molecular FormulaC24H25F2N5O2
Molecular Weight453.49 g/mol
Exact Mass453.20
IUPAC Name1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
SMILESCc1nc2cc(F)cc(C(=O)N3CCCC(CNC(=O)Nc4cccc(F)c4)C3)c2nc1C
InChIInChI=1S/C24H25F2N5O2/c1-14-15(2)29-22-20(10-18(26)11-21(22)28-14)23(32)31-8-4-5-16(13-31)12-27-24(33)30-19-7-3-6-17(25)9-19/h3,6-7,9-11,16H,4-5,8,12-13H2,1-2H3,(H2,27,30,33)
InChIKeyGBSVPWJHCMXFGF-UHFFFAOYSA-N
XLogP4.20
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea with MolForge

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Related Compounds

ethyl 6-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]-2-methylpyridine-3-carboxylate
CID 56503550
1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56511706
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540009
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56503165
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-(3-fluorophenyl)-3-[[1-(4-pyrazol-1-ylbenzoyl)piperidin-3-yl]methyl]urea
CID 56503800
1-[[1-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56509303
1-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea (CID 56504447) is 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea is Cc1nc2cc(F)cc(C(=O)N3CCCC(CNC(=O)Nc4cccc(F)c4)C3)c2nc1C.
What is the InChIKey of 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The InChIKey is GBSVPWJHCMXFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O2/c1-14-15(2)29-22-20(10-18(26)11-21(22)28-14)23(32)31-8-4-5-16(13-31)12-27-24(33)30-19-7-3-6-17(25)9-19/h3,6-7,9-11,16H,4-5,8,12-13H2,1-2H3,(H2,27,30,33).
What are the key properties of 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea has a molecular weight of 453.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 56504447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).