N-pentan-3-ylquinoline-4-carboxamide

C15H18N2O — CID 78813506

IUPACN-pentan-3-ylquinoline-4-carboxamide
SMILESCCC(CC)NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H18N2O/c1-3-11(4-2)17-15(18)13-9-10-16-14-8-6-5-7-12(13)14/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyATHLWBKDMIIYKK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.15
Rot. Bonds4

About N-pentan-3-ylquinoline-4-carboxamide

N-pentan-3-ylquinoline-4-carboxamide (PubChem CID 78813506) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-pentan-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-pentan-3-ylquinoline-4-carboxamide
PubChem CID78813506
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-pentan-3-ylquinoline-4-carboxamide
SMILESCCC(CC)NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C15H18N2O/c1-3-11(4-2)17-15(18)13-9-10-16-14-8-6-5-7-12(13)14/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyATHLWBKDMIIYKK-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hex-5-yn-3-ylquinoline-4-carboxamide
CID 113241212
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
N-[1-(4-ethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 134010257
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524
N-[3-(bromomethyl)pentan-3-yl]quinoline-4-carboxamide
CID 114315222
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-ylquinoline-4-carboxamide?
The IUPAC name of N-pentan-3-ylquinoline-4-carboxamide (CID 78813506) is N-pentan-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-pentan-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-pentan-3-ylquinoline-4-carboxamide is CCC(CC)NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-pentan-3-ylquinoline-4-carboxamide?
The InChIKey is ATHLWBKDMIIYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-11(4-2)17-15(18)13-9-10-16-14-8-6-5-7-12(13)14/h5-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-pentan-3-ylquinoline-4-carboxamide?
N-pentan-3-ylquinoline-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 78813506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).