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

C21H22ClN3O2 — CID 86301486

IUPAC7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C21H22ClN3O2/c1-25(2)9-8-23-21(26)17-11-16-6-7-19(12-20(16)24-13-17)27-14-15-4-3-5-18(22)10-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,26)
InChIKeyDBCHYAKHWZAZKS-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.76
Rot. Bonds7

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

7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide (PubChem CID 86301486) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide
PubChem CID86301486
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C21H22ClN3O2/c1-25(2)9-8-23-21(26)17-11-16-6-7-19(12-20(16)24-13-17)27-14-15-4-3-5-18(22)10-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,26)
InChIKeyDBCHYAKHWZAZKS-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 ≤ 500383.88
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[7-[(3-chlorophenyl)methoxy]quinoline-3-carbonyl]amino]ethyl]carbamate
CID 131733288
1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
CID 90444035
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 46066941
[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine
CID 86301487
1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
CID 90444039
2-[(3-chlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 24712426
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
methyl 2-[(7-chloroquinoline-3-carbonyl)amino]acetate
CID 110490073
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide
CID 19578403
N-[2-(dimethylamino)ethyl]-3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzamide
CID 133469974
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-4-oxoquinazoline-7-carboxamide
CID 39039907

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide?
The IUPAC name of 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide (CID 86301486) is 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide is CN(C)CCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide?
The InChIKey is DBCHYAKHWZAZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-25(2)9-8-23-21(26)17-11-16-6-7-19(12-20(16)24-13-17)27-14-15-4-3-5-18(22)10-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,26).
What are the key properties of 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide?
7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide has a molecular weight of 383.88 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 7-[(3-chlorophenyl)methoxy]-N-[2-(dimethylamino)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 86301486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).