7-methoxy-N-pentan-3-ylquinoline-3-carboxamide

C16H20N2O2 — CID 129276017

IUPAC7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
SMILESCCC(CC)NC(=O)c1cnc2cc(OC)ccc2c1
InChIInChI=1S/C16H20N2O2/c1-4-13(5-2)18-16(19)12-8-11-6-7-14(20-3)9-15(11)17-10-12/h6-10,13H,4-5H2,1-3H3,(H,18,19)
InChIKeyITOQJNBQJVTSAA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.16
Rot. Bonds5

About 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide

7-methoxy-N-pentan-3-ylquinoline-3-carboxamide (PubChem CID 129276017) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
PubChem CID129276017
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name7-methoxy-N-pentan-3-ylquinoline-3-carboxamide
SMILESCCC(CC)NC(=O)c1cnc2cc(OC)ccc2c1
InChIInChI=1S/C16H20N2O2/c1-4-13(5-2)18-16(19)12-8-11-6-7-14(20-3)9-15(11)17-10-12/h6-10,13H,4-5H2,1-3H3,(H,18,19)
InChIKeyITOQJNBQJVTSAA-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-7-methoxyquinoline-3-carboxamide
CID 155544242
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
methyl 2-[(7-methoxyquinoline-3-carbonyl)amino]acetate
CID 110489898
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
7-methoxy-N-(1H-1,2,4-triazol-5-yl)quinoline-3-carboxamide
CID 110489890
7-methoxyquinoline-3-carboxylate;triethylazanium
CID 129247666
ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
CID 158875379
N-(1-chlorobutan-2-yl)-4-methoxybenzamide
CID 114294761
7-methoxy-N-[2-(2-oxoimidazolidin-1-yl)ethyl]quinoline-3-carboxamide
CID 155559395
N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-7-methoxyquinoline-3-carboxamide
CID 129247320
N-(4-cyclopropyl-6-methylpyrimidin-2-yl)-7-methoxyquinoline-3-carboxamide
CID 138051189

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide (CID 129276017) is 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide is CCC(CC)NC(=O)c1cnc2cc(OC)ccc2c1.
What is the InChIKey of 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide?
The InChIKey is ITOQJNBQJVTSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-13(5-2)18-16(19)12-8-11-6-7-14(20-3)9-15(11)17-10-12/h6-10,13H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide?
7-methoxy-N-pentan-3-ylquinoline-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-pentan-3-ylquinoline-3-carboxamide is sourced from PubChem (CID 129276017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).