1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride

C24H30ClFN4O — CID 67538741

IUPAC1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
SMILESCCc1ccc(CNC2CCN(CCn3c(=O)cnc4ccc(F)cc43)CC2)cc1.Cl
InChIInChI=1S/C24H29FN4O.ClH/c1-2-18-3-5-19(6-4-18)16-26-21-9-11-28(12-10-21)13-14-29-23-15-20(25)7-8-22(23)27-17-24(29)30;/h3-8,15,17,21,26H,2,9-14,16H2,1H3;1H
InChIKeyCFPVCCABTDHNGZ-UHFFFAOYSA-N
MW444.98 g/mol
LogP3.77
Rot. Bonds7

About 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride

1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride (PubChem CID 67538741) has the molecular formula C24H30ClFN4O and a molecular weight of 444.98 g/mol. Its IUPAC name is 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
PubChem CID67538741
Molecular FormulaC24H30ClFN4O
Molecular Weight444.98 g/mol
Exact Mass444.21
IUPAC Name1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
SMILESCCc1ccc(CNC2CCN(CCn3c(=O)cnc4ccc(F)cc43)CC2)cc1.Cl
InChIInChI=1S/C24H29FN4O.ClH/c1-2-18-3-5-19(6-4-18)16-26-21-9-11-28(12-10-21)13-14-29-23-15-20(25)7-8-22(23)27-17-24(29)30;/h3-8,15,17,21,26H,2,9-14,16H2,1H3;1H
InChIKeyCFPVCCABTDHNGZ-UHFFFAOYSA-N
XLogP3.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.98
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 25030977
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 162093897
(E)-but-2-enedioic acid;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 68994859
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388
1-[2-[4-[(4-amino-3-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 143586098
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-(7-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate;1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one
CID 158766926
1-[2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 67538574
1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 68854843
2-fluoro-5-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 68735240
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 159025223

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride?
The IUPAC name of 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride (CID 67538741) is 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride is CCc1ccc(CNC2CCN(CCn3c(=O)cnc4ccc(F)cc43)CC2)cc1.Cl.
What is the InChIKey of 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride?
The InChIKey is CFPVCCABTDHNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O.ClH/c1-2-18-3-5-19(6-4-18)16-26-21-9-11-28(12-10-21)13-14-29-23-15-20(25)7-8-22(23)27-17-24(29)30;/h3-8,15,17,21,26H,2,9-14,16H2,1H3;1H.
What are the key properties of 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride?
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride has a molecular weight of 444.98 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride is sourced from PubChem (CID 67538741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).