4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one

C22H25ClFN3O — CID 167954070

IUPAC4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(CNC2CCN(Cc3c(F)cccc3Cl)CC2)c2ccccc2N1
InChIInChI=1S/C22H25ClFN3O/c23-19-5-3-6-20(24)18(19)14-27-10-8-16(9-11-27)25-13-15-12-22(28)26-21-7-2-1-4-17(15)21/h1-7,15-16,25H,8-14H2,(H,26,28)
InChIKeyBSWOAQINIJGRRW-UHFFFAOYSA-N
MW401.91 g/mol
LogP4.16
Rot. Bonds5

About 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one

4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167954070) has the molecular formula C22H25ClFN3O and a molecular weight of 401.91 g/mol. Its IUPAC name is 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID167954070
Molecular FormulaC22H25ClFN3O
Molecular Weight401.91 g/mol
Exact Mass401.17
IUPAC Name4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(CNC2CCN(Cc3c(F)cccc3Cl)CC2)c2ccccc2N1
InChIInChI=1S/C22H25ClFN3O/c23-19-5-3-6-20(24)18(19)14-27-10-8-16(9-11-27)25-13-15-12-22(28)26-21-7-2-1-4-17(15)21/h1-7,15-16,25H,8-14H2,(H,26,28)
InChIKeyBSWOAQINIJGRRW-UHFFFAOYSA-N
XLogP4.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(4S)-4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 98800328
(4R)-4-[[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 98890651
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one
CID 167865232
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591510
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86813464
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
4-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine;oxalic acid
CID 163326693

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 167954070) is 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CC(CNC2CCN(Cc3c(F)cccc3Cl)CC2)c2ccccc2N1.
What is the InChIKey of 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BSWOAQINIJGRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O/c23-19-5-3-6-20(24)18(19)14-27-10-8-16(9-11-27)25-13-15-12-22(28)26-21-7-2-1-4-17(15)21/h1-7,15-16,25H,8-14H2,(H,26,28).
What are the key properties of 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 401.91 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167954070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).