2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide

C20H17Cl2N5O2 — CID 139782589

IUPAC2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide
SMILESCCN1CCN(c2c(Cl)cnc3c(NC(=O)c4cccnc4Cl)cccc23)C1=O
InChIInChI=1S/C20H17Cl2N5O2/c1-2-26-9-10-27(20(26)29)17-12-5-3-7-15(16(12)24-11-14(17)21)25-19(28)13-6-4-8-23-18(13)22/h3-8,11H,2,9-10H2,1H3,(H,25,28)
InChIKeyWKXPWXPBAPPKAU-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.45
Rot. Bonds4

About 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide

2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide (PubChem CID 139782589) has the molecular formula C20H17Cl2N5O2 and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide
PubChem CID139782589
Molecular FormulaC20H17Cl2N5O2
Molecular Weight430.30 g/mol
Exact Mass429.08
IUPAC Name2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide
SMILESCCN1CCN(c2c(Cl)cnc3c(NC(=O)c4cccnc4Cl)cccc23)C1=O
InChIInChI=1S/C20H17Cl2N5O2/c1-2-26-9-10-27(20(26)29)17-12-5-3-7-15(16(12)24-11-14(17)21)25-19(28)13-6-4-8-23-18(13)22/h3-8,11H,2,9-10H2,1H3,(H,25,28)
InChIKeyWKXPWXPBAPPKAU-UHFFFAOYSA-N
XLogP4.45
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide
CID 139782270
2,6-dichloro-N-[4-(3-ethyl-2-sulfanylideneimidazolidin-1-yl)-3-methylquinolin-8-yl]benzamide
CID 139782386
2,4-dichloro-N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 139782354
N-[4-(3-ethyl-2-oxoimidazolidin-1-yl)-2,3-dimethylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782488
N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782558
2,6-dichloro-N-[3-(ethoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592451
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2,3-dihydro-1H-indole-4-carboxamide
CID 139782388
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-4-carboxamide
CID 139782439
N-[3-(methoxymethyl)-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
CID 19592503
N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782527
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide (CID 139782589) is 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide is CCN1CCN(c2c(Cl)cnc3c(NC(=O)c4cccnc4Cl)cccc23)C1=O.
What is the InChIKey of 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide?
The InChIKey is WKXPWXPBAPPKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O2/c1-2-26-9-10-27(20(26)29)17-12-5-3-7-15(16(12)24-11-14(17)21)25-19(28)13-6-4-8-23-18(13)22/h3-8,11H,2,9-10H2,1H3,(H,25,28).
What are the key properties of 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide?
2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide has a molecular weight of 430.30 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 139782589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).