2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide

C21H28ClN3O2 — CID 55731335

IUPAC2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc2nc(Cl)ccc2c1)N1CCOCC1
InChIInChI=1S/C21H28ClN3O2/c1-3-15(4-2)19(25-9-11-27-12-10-25)14-23-21(26)17-5-7-18-16(13-17)6-8-20(22)24-18/h5-8,13,15,19H,3-4,9-12,14H2,1-2H3,(H,23,26)
InChIKeyNWBHECJPTUKNNT-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.76
Rot. Bonds7

About 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide

2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide (PubChem CID 55731335) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
PubChem CID55731335
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc2nc(Cl)ccc2c1)N1CCOCC1
InChIInChI=1S/C21H28ClN3O2/c1-3-15(4-2)19(25-9-11-27-12-10-25)14-23-21(26)17-5-7-18-16(13-17)6-8-20(22)24-18/h5-8,13,15,19H,3-4,9-12,14H2,1-2H3,(H,23,26)
InChIKeyNWBHECJPTUKNNT-UHFFFAOYSA-N
XLogP3.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
CID 134053070
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 43046378
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46439821
4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
CID 43046344
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43046384
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134053109
4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide
CID 46407135
(2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51887858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide (CID 55731335) is 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide is CCC(CC)C(CNC(=O)c1ccc2nc(Cl)ccc2c1)N1CCOCC1.
What is the InChIKey of 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide?
The InChIKey is NWBHECJPTUKNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-3-15(4-2)19(25-9-11-27-12-10-25)14-23-21(26)17-5-7-18-16(13-17)6-8-20(22)24-18/h5-8,13,15,19H,3-4,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide?
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide has a molecular weight of 389.93 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide is sourced from PubChem (CID 55731335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).