3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one

C22H24ClN3O2 — CID 142006200

IUPAC3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one
SMILESO=c1c(CNCc2ccc(Cl)cc2)c[nH]c2ccc(CN3CCOCC3)cc12
InChIInChI=1S/C22H24ClN3O2/c23-19-4-1-16(2-5-19)12-24-13-18-14-25-21-6-3-17(11-20(21)22(18)27)15-26-7-9-28-10-8-26/h1-6,11,14,24H,7-10,12-13,15H2,(H,25,27)
InChIKeyOTEATPNVPYIUPX-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.30
Rot. Bonds6

About 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one

3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one (PubChem CID 142006200) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one
PubChem CID142006200
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one
SMILESO=c1c(CNCc2ccc(Cl)cc2)c[nH]c2ccc(CN3CCOCC3)cc12
InChIInChI=1S/C22H24ClN3O2/c23-19-4-1-16(2-5-19)12-24-13-18-14-25-21-6-3-17(11-20(21)22(18)27)15-26-7-9-28-10-8-26/h1-6,11,14,24H,7-10,12-13,15H2,(H,25,27)
InChIKeyOTEATPNVPYIUPX-UHFFFAOYSA-N
XLogP3.30
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-1,7-naphthyridin-3-yl]acetamide
CID 139979679
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473163
N-[3-(4-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propyl]-6-(morpholin-4-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 70202371
N-[(2-fluorophenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809807
N-[(4-chlorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxo-1H-pyrido[3,4-c]pyridazin-3-yl]acetamide
CID 139979790
N-[(4-chlorophenyl)methyl]-2-[3-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaen-10-yl]acetamide
CID 139979515
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809733
N-[(2,3-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809922
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86843039
6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 730781

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one (CID 142006200) is 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one is O=c1c(CNCc2ccc(Cl)cc2)c[nH]c2ccc(CN3CCOCC3)cc12.
What is the InChIKey of 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
The InChIKey is OTEATPNVPYIUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-19-4-1-16(2-5-19)12-24-13-18-14-25-21-6-3-17(11-20(21)22(18)27)15-26-7-9-28-10-8-26/h1-6,11,14,24H,7-10,12-13,15H2,(H,25,27).
What are the key properties of 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one?
3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one has a molecular weight of 397.91 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)methylamino]methyl]-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 142006200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).