N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide

C22H28ClN3O2 — CID 42700833

IUPACN-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1CCOCC1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C22H28ClN3O2/c23-21-19(15-18-7-3-4-8-20(18)24-21)16-26(22(27)17-5-1-2-6-17)10-9-25-11-13-28-14-12-25/h3-4,7-8,15,17H,1-2,5-6,9-14,16H2
InChIKeyIAUVQJSJLIGQGB-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.74
Rot. Bonds6

About N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide

N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide (PubChem CID 42700833) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
PubChem CID42700833
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(CCN1CCOCC1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C22H28ClN3O2/c23-21-19(15-18-7-3-4-8-20(18)24-21)16-26(22(27)17-5-1-2-6-17)10-9-25-11-13-28-14-12-25/h3-4,7-8,15,17H,1-2,5-6,9-14,16H2
InChIKeyIAUVQJSJLIGQGB-UHFFFAOYSA-N
XLogP3.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
CID 42700838
N-[(2-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)cyclopentanecarboxamide
CID 42701433
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 46009373
N-[2-[(3R)-3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 98403963
N-[[1-(iodomethyl)-2-oxoquinolin-3-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 67404636
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
N-[2-[(3R)-5-(2-chlorophenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 98439377
N-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)morpholine-4-carboxamide
CID 3807765
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide
CID 3762053
N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 83289075
N-(2-morpholin-4-ylethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 3569448

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide (CID 42700833) is N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide is O=C(C1CCCC1)N(CCN1CCOCC1)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
The InChIKey is IAUVQJSJLIGQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c23-21-19(15-18-7-3-4-8-20(18)24-21)16-26(22(27)17-5-1-2-6-17)10-9-25-11-13-28-14-12-25/h3-4,7-8,15,17H,1-2,5-6,9-14,16H2.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide?
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide has a molecular weight of 401.94 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide is sourced from PubChem (CID 42700833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).