N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide

C18H16ClN3O — CID 52554868

IUPACN-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2ccc(Cl)cn2)c1C
InChIInChI=1S/C18H16ClN3O/c1-3-14-11(2)17(13-6-4-5-7-15(13)21-14)18(23)22-16-9-8-12(19)10-20-16/h4-10H,3H2,1-2H3,(H,20,22,23)
InChIKeyIGRYTSOUTQTSSV-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.41
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide

N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide (PubChem CID 52554868) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide
PubChem CID52554868
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2ccc(Cl)cn2)c1C
InChIInChI=1S/C18H16ClN3O/c1-3-14-11(2)17(13-6-4-5-7-15(13)21-14)18(23)22-16-9-8-12(19)10-20-16/h4-10H,3H2,1-2H3,(H,20,22,23)
InChIKeyIGRYTSOUTQTSSV-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8908112
2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
CID 52553649
N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide
CID 55990925
2-ethyl-3-methyl-N-quinolin-6-ylquinoline-4-carboxamide
CID 167921429
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2091899
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide (CID 52554868) is N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide is CCc1nc2ccccc2c(C(=O)Nc2ccc(Cl)cn2)c1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide?
The InChIKey is IGRYTSOUTQTSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-3-14-11(2)17(13-6-4-5-7-15(13)21-14)18(23)22-16-9-8-12(19)10-20-16/h4-10H,3H2,1-2H3,(H,20,22,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide?
N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-ethyl-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 52554868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).