N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide

C22H22ClN3O2 — CID 55731163

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C22H22ClN3O2/c23-21-9-7-17-12-18(6-8-20(17)25-21)22(27)24-13-19-15-26(10-11-28-19)14-16-4-2-1-3-5-16/h1-9,12,19H,10-11,13-15H2,(H,24,27)
InChIKeyQYZQFIQJNNVLAH-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.52
Rot. Bonds5

About N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide (PubChem CID 55731163) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
PubChem CID55731163
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C22H22ClN3O2/c23-21-9-7-17-12-18(6-8-20(17)25-21)22(27)24-13-19-15-26(10-11-28-19)14-16-4-2-1-3-5-16/h1-9,12,19H,10-11,13-15H2,(H,24,27)
InChIKeyQYZQFIQJNNVLAH-UHFFFAOYSA-N
XLogP3.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[(4-benzylmorpholin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057540
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide (CID 55731163) is N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide is O=C(NCC1CN(Cc2ccccc2)CCO1)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide?
The InChIKey is QYZQFIQJNNVLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-21-9-7-17-12-18(6-8-20(17)25-21)22(27)24-13-19-15-26(10-11-28-19)14-16-4-2-1-3-5-16/h1-9,12,19H,10-11,13-15H2,(H,24,27).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide is sourced from PubChem (CID 55731163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).