4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one

C19H21FN6O2 — CID 90682479

IUPAC4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
SMILESCc1c(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)nnn1C
InChIInChI=1S/C19H21FN6O2/c1-11-18(23-24-25(11)2)19(28)26-7-5-13(6-8-26)21-16-10-17(27)22-15-4-3-12(20)9-14(15)16/h3-4,9-10,13H,5-8H2,1-2H3,(H2,21,22,27)
InChIKeyMRAATAOMPPDXSM-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.82
Rot. Bonds3

About 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one

4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one (PubChem CID 90682479) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
PubChem CID90682479
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
SMILESCc1c(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)nnn1C
InChIInChI=1S/C19H21FN6O2/c1-11-18(23-24-25(11)2)19(28)26-7-5-13(6-8-26)21-16-10-17(27)22-15-4-3-12(20)9-14(15)16/h3-4,9-10,13H,5-8H2,1-2H3,(H2,21,22,27)
InChIKeyMRAATAOMPPDXSM-UHFFFAOYSA-N
XLogP1.82
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one (CID 90682479) is 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one is Cc1c(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)nnn1C.
What is the InChIKey of 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
The InChIKey is MRAATAOMPPDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-11-18(23-24-25(11)2)19(28)26-7-5-13(6-8-26)21-16-10-17(27)22-15-4-3-12(20)9-14(15)16/h3-4,9-10,13H,5-8H2,1-2H3,(H2,21,22,27).
What are the key properties of 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one has a molecular weight of 384.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 90682479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).