N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide

C20H20FN3O3 — CID 167800919

IUPACN-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide
SMILESCc1cc(F)cc(NC(=O)C(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C20H20FN3O3/c1-11-7-15(21)10-16(8-11)23-20(27)19(26)22-12(2)13-3-5-17-14(9-13)4-6-18(25)24-17/h3,5,7-10,12H,4,6H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyIKBMIVPGVVWTBS-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.83
Rot. Bonds3

About N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide

N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide (PubChem CID 167800919) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide
PubChem CID167800919
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide
SMILESCc1cc(F)cc(NC(=O)C(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C20H20FN3O3/c1-11-7-15(21)10-16(8-11)23-20(27)19(26)22-12(2)13-3-5-17-14(9-13)4-6-18(25)24-17/h3,5,7-10,12H,4,6H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyIKBMIVPGVVWTBS-UHFFFAOYSA-N
XLogP2.83
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
2-(3,5-difluorophenyl)-2-methoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 154845292
1-(2-fluoro-6-methylphenyl)-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 124575118
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119729826
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
3-amino-2-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenylpropanamide
CID 119729796
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
3-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopentane-1-carboxamide
CID 119729790

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide (CID 167800919) is N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide is Cc1cc(F)cc(NC(=O)C(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide?
The InChIKey is IKBMIVPGVVWTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-11-7-15(21)10-16(8-11)23-20(27)19(26)22-12(2)13-3-5-17-14(9-13)4-6-18(25)24-17/h3,5,7-10,12H,4,6H2,1-2H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide?
N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide has a molecular weight of 369.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-N'-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]oxamide is sourced from PubChem (CID 167800919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).