4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide

C18H22ClN3O3 — CID 22988091

IUPAC4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
SMILESCOc1cc2nccc(Cl)c2cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H22ClN3O3/c1-24-17-12-16-13(15(19)3-5-20-16)11-14(17)18(23)21-4-2-6-22-7-9-25-10-8-22/h3,5,11-12H,2,4,6-10H2,1H3,(H,21,23)
InChIKeyQNTFMKKUZZWSPY-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.35
Rot. Bonds6

About 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide

4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide (PubChem CID 22988091) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
PubChem CID22988091
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
SMILESCOc1cc2nccc(Cl)c2cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H22ClN3O3/c1-24-17-12-16-13(15(19)3-5-20-16)11-14(17)18(23)21-4-2-6-22-7-9-25-10-8-22/h3,5,11-12H,2,4,6-10H2,1H3,(H,21,23)
InChIKeyQNTFMKKUZZWSPY-UHFFFAOYSA-N
XLogP2.35
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 139932135
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2965752
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
2-methoxy-5-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 30148719
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)isoquinoline-4-carboxamide
CID 126476783
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide?
The IUPAC name of 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide (CID 22988091) is 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide?
The canonical SMILES for 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide is COc1cc2nccc(Cl)c2cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide?
The InChIKey is QNTFMKKUZZWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-24-17-12-16-13(15(19)3-5-20-16)11-14(17)18(23)21-4-2-6-22-7-9-25-10-8-22/h3,5,11-12H,2,4,6-10H2,1H3,(H,21,23).
What are the key properties of 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide?
4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide is sourced from PubChem (CID 22988091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).