2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide

C23H21Cl2N3O3 — CID 139782384

IUPAC2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1OCC(=O)N1CCCC1
InChIInChI=1S/C23H21Cl2N3O3/c1-14-12-26-21-15(22(14)31-13-19(29)28-10-2-3-11-28)6-4-9-18(21)27-23(30)20-16(24)7-5-8-17(20)25/h4-9,12H,2-3,10-11,13H2,1H3,(H,27,30)
InChIKeyRJWUXOKEYGWEGP-UHFFFAOYSA-N
MW458.35 g/mol
LogP5.10
Rot. Bonds5

About 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide

2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide (PubChem CID 139782384) has the molecular formula C23H21Cl2N3O3 and a molecular weight of 458.35 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
PubChem CID139782384
Molecular FormulaC23H21Cl2N3O3
Molecular Weight458.35 g/mol
Exact Mass457.10
IUPAC Name2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1OCC(=O)N1CCCC1
InChIInChI=1S/C23H21Cl2N3O3/c1-14-12-26-21-15(22(14)31-13-19(29)28-10-2-3-11-28)6-4-9-18(21)27-23(30)20-16(24)7-5-8-17(20)25/h4-9,12H,2-3,10-11,13H2,1H3,(H,27,30)
InChIKeyRJWUXOKEYGWEGP-UHFFFAOYSA-N
XLogP5.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.35
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
CID 139782456
2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide
CID 139782497
2,6-dichloro-N-[4-(3-ethyl-2-sulfanylideneimidazolidin-1-yl)-3-methylquinolin-8-yl]benzamide
CID 139782386
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
2,6-dichloro-N-[3-methyl-4-(4-phenylimidazol-1-yl)quinolin-8-yl]benzamide
CID 139782382
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinolin-8-yl]benzamide
CID 139782493
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide (CID 139782384) is 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide is Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1OCC(=O)N1CCCC1.
What is the InChIKey of 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide?
The InChIKey is RJWUXOKEYGWEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O3/c1-14-12-26-21-15(22(14)31-13-19(29)28-10-2-3-11-28)6-4-9-18(21)27-23(30)20-16(24)7-5-8-17(20)25/h4-9,12H,2-3,10-11,13H2,1H3,(H,27,30).
What are the key properties of 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide?
2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide has a molecular weight of 458.35 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide is sourced from PubChem (CID 139782384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).