N-butan-2-yl-3-methoxyquinoline-4-carboxamide

C15H18N2O2 — CID 110848533

IUPACN-butan-2-yl-3-methoxyquinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1c(OC)cnc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-4-10(2)17-15(18)14-11-7-5-6-8-12(11)16-9-13(14)19-3/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyAYTJCADOGHXDIB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.77
Rot. Bonds4

About N-butan-2-yl-3-methoxyquinoline-4-carboxamide

N-butan-2-yl-3-methoxyquinoline-4-carboxamide (PubChem CID 110848533) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-butan-2-yl-3-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-methoxyquinoline-4-carboxamide
PubChem CID110848533
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-butan-2-yl-3-methoxyquinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1c(OC)cnc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-4-10(2)17-15(18)14-11-7-5-6-8-12(11)16-9-13(14)19-3/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyAYTJCADOGHXDIB-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(2-methoxyphenyl)quinoline-4-carboxamide
CID 110859914
3-methoxy-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 110850751
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
3-butan-2-yloxyquinoline-4-carboxylic acid
CID 79594936
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-butan-2-yl-2,4,6-trimethoxybenzamide
CID 110764612
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109273143
(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 110849120
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
3-pentoxyquinoline-4-carboxylic acid
CID 79593988
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate
CID 167814123
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methoxyquinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-methoxyquinoline-4-carboxamide (CID 110848533) is N-butan-2-yl-3-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-methoxyquinoline-4-carboxamide is CCC(C)NC(=O)c1c(OC)cnc2ccccc12.
What is the InChIKey of N-butan-2-yl-3-methoxyquinoline-4-carboxamide?
The InChIKey is AYTJCADOGHXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-10(2)17-15(18)14-11-7-5-6-8-12(11)16-9-13(14)19-3/h5-10H,4H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-3-methoxyquinoline-4-carboxamide?
N-butan-2-yl-3-methoxyquinoline-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 110848533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).