6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

C14H16N4O — CID 82482603

IUPAC6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1nc(CN)cc1-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H16N4O/c1-18-13(7-11(8-15)17-18)10-2-4-12-9(6-10)3-5-14(19)16-12/h2,4,6-7H,3,5,8,15H2,1H3,(H,16,19)
InChIKeyVYPXGNQNHWIASI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.43
Rot. Bonds2

About 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82482603) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82482603
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1nc(CN)cc1-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H16N4O/c1-18-13(7-11(8-15)17-18)10-2-4-12-9(6-10)3-5-14(19)16-12/h2,4,6-7H,3,5,8,15H2,1H3,(H,16,19)
InChIKeyVYPXGNQNHWIASI-UHFFFAOYSA-N
XLogP1.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82483370
6-(2-amino-4-ethyl-1,3-oxazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116832062
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610358
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 166047857
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (CID 82482603) is 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is Cn1nc(CN)cc1-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VYPXGNQNHWIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-13(7-11(8-15)17-18)10-2-4-12-9(6-10)3-5-14(19)16-12/h2,4,6-7H,3,5,8,15H2,1H3,(H,16,19).
What are the key properties of 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82482603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).