1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one

C22H24N4OS — CID 166226331

IUPAC1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(NCc3cn[nH]c3-c3cccs3)ccc2N1CC1CCC1
InChIInChI=1S/C22H24N4OS/c27-21-9-6-16-11-18(7-8-19(16)26(21)14-15-3-1-4-15)23-12-17-13-24-25-22(17)20-5-2-10-28-20/h2,5,7-8,10-11,13,15,23H,1,3-4,6,9,12,14H2,(H,24,25)
InChIKeyRUSDLCANZKFARA-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.83
Rot. Bonds6

About 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one

1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one (PubChem CID 166226331) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one
PubChem CID166226331
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(NCc3cn[nH]c3-c3cccs3)ccc2N1CC1CCC1
InChIInChI=1S/C22H24N4OS/c27-21-9-6-16-11-18(7-8-19(16)26(21)14-15-3-1-4-15)23-12-17-13-24-25-22(17)20-5-2-10-28-20/h2,5,7-8,10-11,13,15,23H,1,3-4,6,9,12,14H2,(H,24,25)
InChIKeyRUSDLCANZKFARA-UHFFFAOYSA-N
XLogP4.83
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

3-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 103699966
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CID 62809140
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
CID 66349893
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094
5-bromo-6-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 103930517
4-chloro-2-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785115
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 78885801
2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43783591
(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81384549
1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
CID 54921126
1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine
CID 43768889
2,6-dichloro-4-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 83078504

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one (CID 166226331) is 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one is O=C1CCc2cc(NCc3cn[nH]c3-c3cccs3)ccc2N1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one?
The InChIKey is RUSDLCANZKFARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-21-9-6-16-11-18(7-8-19(16)26(21)14-15-3-1-4-15)23-12-17-13-24-25-22(17)20-5-2-10-28-20/h2,5,7-8,10-11,13,15,23H,1,3-4,6,9,12,14H2,(H,24,25).
What are the key properties of 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one?
1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one has a molecular weight of 392.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 166226331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).