6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide

C16H16FN5O2 — CID 75510934

IUPAC6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)nn1
InChIInChI=1S/C16H16FN5O2/c1-22(2)14-5-4-11(20-21-14)16(24)19-13-7-9-3-6-15(23)18-12(9)8-10(13)17/h4-5,7-8H,3,6H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyJWKMTTQQAMWICK-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.82
Rot. Bonds3

About 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide

6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide (PubChem CID 75510934) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide
PubChem CID75510934
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)nn1
InChIInChI=1S/C16H16FN5O2/c1-22(2)14-5-4-11(20-21-14)16(24)19-13-7-9-3-6-15(23)18-12(9)8-10(13)17/h4-5,7-8H,3,6H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyJWKMTTQQAMWICK-UHFFFAOYSA-N
XLogP1.82
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide (CID 75510934) is 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide is CN(C)c1ccc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)nn1.
What is the InChIKey of 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide?
The InChIKey is JWKMTTQQAMWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-22(2)14-5-4-11(20-21-14)16(24)19-13-7-9-3-6-15(23)18-12(9)8-10(13)17/h4-5,7-8H,3,6H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide?
6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 75510934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).