N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide

C19H24N4O2 — CID 71862995

IUPACN-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)NCc1ccnc2ccccc12)NC1CCCC1
InChIInChI=1S/C19H24N4O2/c24-18(23-15-5-1-2-6-15)10-12-21-19(25)22-13-14-9-11-20-17-8-4-3-7-16(14)17/h3-4,7-9,11,15H,1-2,5-6,10,12-13H2,(H,23,24)(H2,21,22,25)
InChIKeyMCXGXQWGCUHUJK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.48
Rot. Bonds6

About N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide

N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide (PubChem CID 71862995) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide
PubChem CID71862995
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)NCc1ccnc2ccccc12)NC1CCCC1
InChIInChI=1S/C19H24N4O2/c24-18(23-15-5-1-2-6-15)10-12-21-19(25)22-13-14-9-11-20-17-8-4-3-7-16(14)17/h3-4,7-9,11,15H,1-2,5-6,10,12-13H2,(H,23,24)(H2,21,22,25)
InChIKeyMCXGXQWGCUHUJK-UHFFFAOYSA-N
XLogP2.48
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide
CID 136578959
1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968058
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
CID 111751216
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 60547814
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
ethyl 4-[[N'-methyl-N-(quinolin-4-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111968839
N'-cyclopentyl-N-[(2-phenylphenyl)methyl]butanediamide
CID 46986234
N-cyclohexyl-3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111635358

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide?
The IUPAC name of N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide (CID 71862995) is N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide?
The canonical SMILES for N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide is O=C(CCNC(=O)NCc1ccnc2ccccc12)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide?
The InChIKey is MCXGXQWGCUHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(23-15-5-1-2-6-15)10-12-21-19(25)22-13-14-9-11-20-17-8-4-3-7-16(14)17/h3-4,7-9,11,15H,1-2,5-6,10,12-13H2,(H,23,24)(H2,21,22,25).
What are the key properties of N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide?
N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide is sourced from PubChem (CID 71862995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).