7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide

C20H20ClN3O2 — CID 86296658

IUPAC7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide
SMILESCNCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H20ClN3O2/c1-22-7-8-23-20(25)16-10-15-5-6-18(11-19(15)24-12-16)26-13-14-3-2-4-17(21)9-14/h2-6,9-12,22H,7-8,13H2,1H3,(H,23,25)
InChIKeyPYGWIUADALYVRJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.42
Rot. Bonds7

About 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide

7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide (PubChem CID 86296658) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide
PubChem CID86296658
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide
SMILESCNCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H20ClN3O2/c1-22-7-8-23-20(25)16-10-15-5-6-18(11-19(15)24-12-16)26-13-14-3-2-4-17(21)9-14/h2-6,9-12,22H,7-8,13H2,1H3,(H,23,25)
InChIKeyPYGWIUADALYVRJ-UHFFFAOYSA-N
XLogP3.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide?
The IUPAC name of 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide (CID 86296658) is 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide is CNCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide?
The InChIKey is PYGWIUADALYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-22-7-8-23-20(25)16-10-15-5-6-18(11-19(15)24-12-16)26-13-14-3-2-4-17(21)9-14/h2-6,9-12,22H,7-8,13H2,1H3,(H,23,25).
What are the key properties of 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide?
7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methoxy]-N-[2-(methylamino)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 86296658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).