(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide

C14H15FN2O2 — CID 86801882

IUPAC(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)Nc1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H15FN2O2/c1-3-8(2)14(19)17-12-6-9-4-5-13(18)16-11(9)7-10(12)15/h3,6-7H,4-5H2,1-2H3,(H,16,18)(H,17,19)/b8-3-
InChIKeyBSBRUHBBVAQPDL-BAQGIRSFSA-N
MW262.28 g/mol
LogP2.62
Rot. Bonds2

About (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide

(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide (PubChem CID 86801882) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide
PubChem CID86801882
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide
SMILESC/C=C(/C)C(=O)Nc1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C14H15FN2O2/c1-3-8(2)14(19)17-12-6-9-4-5-13(18)16-11(9)7-10(12)15/h3,6-7H,4-5H2,1-2H3,(H,16,18)(H,17,19)/b8-3-
InChIKeyBSBRUHBBVAQPDL-BAQGIRSFSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide with MolForge

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Related Compounds

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674429
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
CID 119293008
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-2-oxoacetamide
CID 99606624
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 86802588
1-(3,5-dimethylphenyl)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methylpyrazole-3-carboxamide
CID 119043799
6-(dimethylamino)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridazine-3-carboxamide
CID 75510934
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-propylbenzamide
CID 146350520

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide?
The IUPAC name of (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide (CID 86801882) is (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide?
The canonical SMILES for (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide is C/C=C(/C)C(=O)Nc1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide?
The InChIKey is BSBRUHBBVAQPDL-BAQGIRSFSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-8(2)14(19)17-12-6-9-4-5-13(18)16-11(9)7-10(12)15/h3,6-7H,4-5H2,1-2H3,(H,16,18)(H,17,19)/b8-3-.
What are the key properties of (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide?
(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide has a molecular weight of 262.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide is sourced from PubChem (CID 86801882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).