N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide

C22H24ClN3O2 — CID 110353693

IUPACN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCN(C)C(CNC(=O)CCc1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1
InChIInChI=1S/C22H24ClN3O2/c1-26(2)20(16-7-5-8-18(23)13-16)14-24-21(27)11-10-17-12-15-6-3-4-9-19(15)25-22(17)28/h3-9,12-13,20H,10-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyILMZDVDNHBTYGA-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110353693) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110353693
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCN(C)C(CNC(=O)CCc1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1
InChIInChI=1S/C22H24ClN3O2/c1-26(2)20(16-7-5-8-18(23)13-16)14-24-21(27)11-10-17-12-15-6-3-4-9-19(15)25-22(17)28/h3-9,12-13,20H,10-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyILMZDVDNHBTYGA-UHFFFAOYSA-N
XLogP3.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110620872
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
N-(5-chloro-2-methoxyphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110356008
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623936
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110302420
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057323
4-(4-chlorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110413628
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331318
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110355986

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide (CID 110353693) is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide is CN(C)C(CNC(=O)CCc1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is ILMZDVDNHBTYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-26(2)20(16-7-5-8-18(23)13-16)14-24-21(27)11-10-17-12-15-6-3-4-9-19(15)25-22(17)28/h3-9,12-13,20H,10-11,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 397.91 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110353693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).