N-(2-methylpropoxy)quinoline-4-carboxamide

C14H16N2O2 — CID 113304301

IUPACN-(2-methylpropoxy)quinoline-4-carboxamide
SMILESCC(C)CONC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-10(2)9-18-16-14(17)12-7-8-15-13-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyDMWKYICQJGQNKA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.55
Rot. Bonds4

About N-(2-methylpropoxy)quinoline-4-carboxamide

N-(2-methylpropoxy)quinoline-4-carboxamide (PubChem CID 113304301) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-methylpropoxy)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)quinoline-4-carboxamide
PubChem CID113304301
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-methylpropoxy)quinoline-4-carboxamide
SMILESCC(C)CONC(=O)c1ccnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-10(2)9-18-16-14(17)12-7-8-15-13-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyDMWKYICQJGQNKA-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
N-(2-methylpropoxy)quinoxaline-2-carboxamide
CID 113304479
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
CID 105131611
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)quinoline-4-carboxamide?
The IUPAC name of N-(2-methylpropoxy)quinoline-4-carboxamide (CID 113304301) is N-(2-methylpropoxy)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)quinoline-4-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)quinoline-4-carboxamide is CC(C)CONC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(2-methylpropoxy)quinoline-4-carboxamide?
The InChIKey is DMWKYICQJGQNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)9-18-16-14(17)12-7-8-15-13-6-4-3-5-11(12)13/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropoxy)quinoline-4-carboxamide?
N-(2-methylpropoxy)quinoline-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)quinoline-4-carboxamide is sourced from PubChem (CID 113304301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).