4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine

C17H21ClN2O3 — CID 141264542

IUPAC4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
SMILESCOc1cc2ccc(Cl)nc2cc1OCCCN1CCOCC1
InChIInChI=1S/C17H21ClN2O3/c1-21-15-11-13-3-4-17(18)19-14(13)12-16(15)23-8-2-5-20-6-9-22-10-7-20/h3-4,11-12H,2,5-10H2,1H3
InChIKeyVECNWDLDNBZAHD-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.00
Rot. Bonds6

About 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine

4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine (PubChem CID 141264542) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
PubChem CID141264542
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
SMILESCOc1cc2ccc(Cl)nc2cc1OCCCN1CCOCC1
InChIInChI=1S/C17H21ClN2O3/c1-21-15-11-13-3-4-17(18)19-14(13)12-16(15)23-8-2-5-20-6-9-22-10-7-20/h3-4,11-12H,2,5-10H2,1H3
InChIKeyVECNWDLDNBZAHD-UHFFFAOYSA-N
XLogP3.00
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine 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

4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine
CID 162666117
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
CID 141269409
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
1-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoxalin-2-one
CID 141436126
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine?
The IUPAC name of 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine (CID 141264542) is 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine.
What is the SMILES notation for 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine?
The canonical SMILES for 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine is COc1cc2ccc(Cl)nc2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine?
The InChIKey is VECNWDLDNBZAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-21-15-11-13-3-4-17(18)19-14(13)12-16(15)23-8-2-5-20-6-9-22-10-7-20/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine?
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine has a molecular weight of 336.82 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine is sourced from PubChem (CID 141264542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).