4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide

C21H23N3O2 — CID 155554099

IUPAC4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide
SMILESCCC(CC)COc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H23N3O2/c1-3-14(4-2)13-26-20-17-10-15(16-6-5-9-23-11-16)7-8-19(17)24-12-18(20)21(22)25/h5-12,14H,3-4,13H2,1-2H3,(H2,22,25)
InChIKeyFBASSETWBJFREY-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.21
Rot. Bonds7

About 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide

4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide (PubChem CID 155554099) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide
PubChem CID155554099
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide
SMILESCCC(CC)COc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H23N3O2/c1-3-14(4-2)13-26-20-17-10-15(16-6-5-9-23-11-16)7-8-19(17)24-12-18(20)21(22)25/h5-12,14H,3-4,13H2,1-2H3,(H2,22,25)
InChIKeyFBASSETWBJFREY-UHFFFAOYSA-N
XLogP4.21
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylbutylamino)-6-pyridin-3-ylquinoline-3-carboxamide
CID 155552713
2-ethoxy-4-pyridin-3-ylbenzamide
CID 155568101
2-(2-carbamoyl-5-pyridin-3-ylphenyl)propanoic acid
CID 90916200
ethyl 2-[(2-methyl-5-pyridin-3-ylphenyl)methyl]butanoate
CID 159993127
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid
CID 43669304
1-(2-carbamoylprop-2-enylamino)-7-pyridin-3-ylnaphthalene-2-carboxamide
CID 162527377
methyl 4-amino-6-phenylquinoline-3-carboxylate
CID 102614814
4-(propan-2-ylamino)-6-(1H-pyrazol-4-yl)-N-(2-pyridin-3-ylethyl)quinoline-3-carboxamide
CID 155781980
2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
CID 158248176
1-(2-propan-2-yloxy-5-pyridin-3-ylphenyl)ethanone
CID 172651082
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide?
The IUPAC name of 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide (CID 155554099) is 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide?
The canonical SMILES for 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide is CCC(CC)COc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12.
What is the InChIKey of 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide?
The InChIKey is FBASSETWBJFREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-14(4-2)13-26-20-17-10-15(16-6-5-9-23-11-16)7-8-19(17)24-12-18(20)21(22)25/h5-12,14H,3-4,13H2,1-2H3,(H2,22,25).
What are the key properties of 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide?
4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutoxy)-6-pyridin-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 155554099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).