3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide

C16H18FN3O3 — CID 143418586

IUPAC3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide
SMILESCCCC(NF)C(=O)C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1
InChIInChI=1S/C16H18FN3O3/c1-3-4-12(20-17)15(22)16(23)18-10-5-6-11-9(2)7-14(21)19-13(11)8-10/h5-8,12,20H,3-4H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyOYANOYWRLMLHSS-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.99
Rot. Bonds6

About 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide

3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide (PubChem CID 143418586) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide.

Molecular Properties

Compound Name3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide
PubChem CID143418586
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide
SMILESCCCC(NF)C(=O)C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1
InChIInChI=1S/C16H18FN3O3/c1-3-4-12(20-17)15(22)16(23)18-10-5-6-11-9(2)7-14(21)19-13(11)8-10/h5-8,12,20H,3-4H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyOYANOYWRLMLHSS-UHFFFAOYSA-N
XLogP1.99
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 10715191
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121238974
(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
CID 126418132
3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide
CID 58331959
2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101390689
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 125431705
tert-butyl N-[(2R)-3-(1-methylindol-3-yl)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]carbamate
CID 126418441
7-ethoxy-4-methyl-1H-quinolin-2-one
CID 121226556
3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane
CID 145466111
1-[2-(dimethylamino)ethyl]-3-(4-methyl-2-oxo-1H-quinolin-7-yl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97451974
[(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-7,7-dimethyl-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxooctan-2-yl]carbamic acid
CID 66667521

Frequently Asked Questions

What is the IUPAC name of 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide?
The IUPAC name of 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide (CID 143418586) is 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide.
What is the SMILES notation for 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide?
The canonical SMILES for 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide is CCCC(NF)C(=O)C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1.
What is the InChIKey of 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide?
The InChIKey is OYANOYWRLMLHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-3-4-12(20-17)15(22)16(23)18-10-5-6-11-9(2)7-14(21)19-13(11)8-10/h5-8,12,20H,3-4H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide?
3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide has a molecular weight of 319.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide is sourced from PubChem (CID 143418586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).