7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide

C22H17Cl2N3O2 — CID 43860477

IUPAC7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccnc3ccc(Cl)cc23)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C22H17Cl2N3O2/c1-3-27-11-16(21(28)14-5-6-17(24)12(2)20(14)27)22(29)26-19-8-9-25-18-7-4-13(23)10-15(18)19/h4-11H,3H2,1-2H3,(H,25,26,29)
InChIKeyBKWHUVXJVBIIMR-UHFFFAOYSA-N
MW426.30 g/mol
LogP5.44
Rot. Bonds3

About 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide

7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43860477) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43860477
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC Name7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccnc3ccc(Cl)cc23)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C22H17Cl2N3O2/c1-3-27-11-16(21(28)14-5-6-17(24)12(2)20(14)27)22(29)26-19-8-9-25-18-7-4-13(23)10-15(18)19/h4-11H,3H2,1-2H3,(H,25,26,29)
InChIKeyBKWHUVXJVBIIMR-UHFFFAOYSA-N
XLogP5.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860462
7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860486
7-chloro-N-(2-chlorophenyl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860427
7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860436
7-chloro-1-ethyl-8-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
CID 43860417
N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860473
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860466
N-(6-chloroquinolin-4-yl)pyridine-2-carboxamide
CID 17016566
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
N-(6-chloroquinolin-4-yl)-5-(ethoxymethyl)furan-2-carboxamide
CID 17016574
N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133604
5-bromo-N-(6-chloroquinolin-4-yl)pyridine-3-carboxamide
CID 17016569

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide (CID 43860477) is 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2ccnc3ccc(Cl)cc23)c(=O)c2ccc(Cl)c(C)c21.
What is the InChIKey of 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is BKWHUVXJVBIIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c1-3-27-11-16(21(28)14-5-6-17(24)12(2)20(14)27)22(29)26-19-8-9-25-18-7-4-13(23)10-15(18)19/h4-11H,3H2,1-2H3,(H,25,26,29).
What are the key properties of 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide?
7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 426.30 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43860477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).