7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one

C22H23ClFN3O — CID 167865232

IUPAC7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(CNC3CCN(Cc4c(F)cccc4Cl)CC3)ccc12
InChIInChI=1S/C22H23ClFN3O/c23-19-2-1-3-20(24)18(19)14-27-10-7-16(8-11-27)26-13-15-4-5-17-21(12-15)25-9-6-22(17)28/h1-6,9,12,16,26H,7-8,10-11,13-14H2,(H,25,28)
InChIKeyNDDGDJCZNYBHCE-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.07
Rot. Bonds5

About 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one

7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one (PubChem CID 167865232) has the molecular formula C22H23ClFN3O and a molecular weight of 399.90 g/mol. Its IUPAC name is 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one
PubChem CID167865232
Molecular FormulaC22H23ClFN3O
Molecular Weight399.90 g/mol
Exact Mass399.15
IUPAC Name7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(CNC3CCN(Cc4c(F)cccc4Cl)CC3)ccc12
InChIInChI=1S/C22H23ClFN3O/c23-19-2-1-3-20(24)18(19)14-27-10-7-16(8-11-27)26-13-15-4-5-17-21(12-15)25-9-6-22(17)28/h1-6,9,12,16,26H,7-8,10-11,13-14H2,(H,25,28)
InChIKeyNDDGDJCZNYBHCE-UHFFFAOYSA-N
XLogP4.07
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

7-[(cyclohexylamino)methyl]-1H-quinolin-4-one
CID 126834177
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86813464
4-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 167954070
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
2-[3-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]oxolan-3-yl]ethanol
CID 126779399
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
(2R)-2-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 122037934
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 136580237
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332

Frequently Asked Questions

What is the IUPAC name of 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one (CID 167865232) is 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one is O=c1cc[nH]c2cc(CNC3CCN(Cc4c(F)cccc4Cl)CC3)ccc12.
What is the InChIKey of 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is NDDGDJCZNYBHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O/c23-19-2-1-3-20(24)18(19)14-27-10-7-16(8-11-27)26-13-15-4-5-17-21(12-15)25-9-6-22(17)28/h1-6,9,12,16,26H,7-8,10-11,13-14H2,(H,25,28).
What are the key properties of 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one?
7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 399.90 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 167865232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).