N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C20H28N4O — CID 46963655

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN2CCCc3ccccc32)n(C)n1
InChIInChI=1S/C20H28N4O/c1-15(2)17-14-19(23(3)22-17)20(25)21-11-7-13-24-12-6-9-16-8-4-5-10-18(16)24/h4-5,8,10,14-15H,6-7,9,11-13H2,1-3H3,(H,21,25)
InChIKeyACLUKRPJJBPJRG-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.12
Rot. Bonds6

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 46963655) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID46963655
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN2CCCc3ccccc32)n(C)n1
InChIInChI=1S/C20H28N4O/c1-15(2)17-14-19(23(3)22-17)20(25)21-11-7-13-24-12-6-9-16-8-4-5-10-18(16)24/h4-5,8,10,14-15H,6-7,9,11-13H2,1-3H3,(H,21,25)
InChIKeyACLUKRPJJBPJRG-UHFFFAOYSA-N
XLogP3.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131946106
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 51495865
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46963658
6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 135114633
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3,5-dimethylphenoxy)butanamide
CID 132657155
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 72864977
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-methylsulfonylbenzamide
CID 51123507

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 46963655) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCCCN2CCCc3ccccc32)n(C)n1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is ACLUKRPJJBPJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)17-14-19(23(3)22-17)20(25)21-11-7-13-24-12-6-9-16-8-4-5-10-18(16)24/h4-5,8,10,14-15H,6-7,9,11-13H2,1-3H3,(H,21,25).
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 46963655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).