N-butyl-2-methylquinoline-4-carboxamide

C15H18N2O — CID 2108581

IUPACN-butyl-2-methylquinoline-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H18N2O/c1-3-4-9-16-15(18)13-10-11(2)17-14-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyXRTDVDJORWEDJK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.07
Rot. Bonds4

About N-butyl-2-methylquinoline-4-carboxamide

N-butyl-2-methylquinoline-4-carboxamide (PubChem CID 2108581) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-butyl-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methylquinoline-4-carboxamide
PubChem CID2108581
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-butyl-2-methylquinoline-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H18N2O/c1-3-4-9-16-15(18)13-10-11(2)17-14-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyXRTDVDJORWEDJK-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylquinoline-4-carboxamide?
The IUPAC name of N-butyl-2-methylquinoline-4-carboxamide (CID 2108581) is N-butyl-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-butyl-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-butyl-2-methylquinoline-4-carboxamide is CCCCNC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-butyl-2-methylquinoline-4-carboxamide?
The InChIKey is XRTDVDJORWEDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-4-9-16-15(18)13-10-11(2)17-14-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-2-methylquinoline-4-carboxamide?
N-butyl-2-methylquinoline-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2108581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).