7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one

C19H21FN4O2 — CID 167866692

IUPAC7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCc1c(NCc2cc3ccc(F)cc3[nH]c2=O)cnn1C1CCOCC1
InChIInChI=1S/C19H21FN4O2/c1-12-18(11-22-24(12)16-4-6-26-7-5-16)21-10-14-8-13-2-3-15(20)9-17(13)23-19(14)25/h2-3,8-9,11,16,21H,4-7,10H2,1H3,(H,23,25)
InChIKeyZUWXAECQASSABS-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.14
Rot. Bonds4

About 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one

7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one (PubChem CID 167866692) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
PubChem CID167866692
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCc1c(NCc2cc3ccc(F)cc3[nH]c2=O)cnn1C1CCOCC1
InChIInChI=1S/C19H21FN4O2/c1-12-18(11-22-24(12)16-4-6-26-7-5-16)21-10-14-8-13-2-3-15(20)9-17(13)23-19(14)25/h2-3,8-9,11,16,21H,4-7,10H2,1H3,(H,23,25)
InChIKeyZUWXAECQASSABS-UHFFFAOYSA-N
XLogP3.14
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one (CID 167866692) is 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one is Cc1c(NCc2cc3ccc(F)cc3[nH]c2=O)cnn1C1CCOCC1.
What is the InChIKey of 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is ZUWXAECQASSABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-12-18(11-22-24(12)16-4-6-26-7-5-16)21-10-14-8-13-2-3-15(20)9-17(13)23-19(14)25/h2-3,8-9,11,16,21H,4-7,10H2,1H3,(H,23,25).
What are the key properties of 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one?
7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 356.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 167866692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).