2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one

C20H23FN4O — CID 72846574

IUPAC2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCc1cc(C)n(CC2(CNCc3cc(=O)c4cc(F)ccc4[nH]3)CC2)n1
InChIInChI=1S/C20H23FN4O/c1-13-7-14(2)25(24-13)12-20(5-6-20)11-22-10-16-9-19(26)17-8-15(21)3-4-18(17)23-16/h3-4,7-9,22H,5-6,10-12H2,1-2H3,(H,23,26)
InChIKeyJWMDRJPOCXYFSY-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.05
Rot. Bonds6

About 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one

2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one (PubChem CID 72846574) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one
PubChem CID72846574
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one
SMILESCc1cc(C)n(CC2(CNCc3cc(=O)c4cc(F)ccc4[nH]3)CC2)n1
InChIInChI=1S/C20H23FN4O/c1-13-7-14(2)25(24-13)12-20(5-6-20)11-22-10-16-9-19(26)17-8-15(21)3-4-18(17)23-16/h3-4,7-9,22H,5-6,10-12H2,1-2H3,(H,23,26)
InChIKeyJWMDRJPOCXYFSY-UHFFFAOYSA-N
XLogP3.05
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one with MolForge

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Related Compounds

2-[[3-(3,5-dimethylpyrazolidin-4-yl)propylamino]methyl]-6-fluoro-1H-quinolin-4-one
CID 134080266
6-fluoro-2-[[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]-1H-quinolin-4-one
CID 72842668
6-fluoro-2-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]-1H-quinolin-4-one
CID 72847538
2-[[[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 97137062
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1-(3-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
CID 46990128
1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole
CID 65008892
6-fluoro-2-[[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]methyl]-1H-quinolin-4-one
CID 97190797
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 74241544
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-6-fluoro-1H-quinolin-4-one
CID 156604880
6-fluoro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one
CID 22580252
ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
CID 23992270
2-[[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 72881161

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one (CID 72846574) is 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one is Cc1cc(C)n(CC2(CNCc3cc(=O)c4cc(F)ccc4[nH]3)CC2)n1.
What is the InChIKey of 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one?
The InChIKey is JWMDRJPOCXYFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-13-7-14(2)25(24-13)12-20(5-6-20)11-22-10-16-9-19(26)17-8-15(21)3-4-18(17)23-16/h3-4,7-9,22H,5-6,10-12H2,1-2H3,(H,23,26).
What are the key properties of 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one?
2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one has a molecular weight of 354.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methylamino]methyl]-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 72846574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).