N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide

C19H16F2N2O3 — CID 166413158

IUPACN-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)Nc3cc(O)c(F)cc3F)ccc21
InChIInChI=1S/C19H16F2N2O3/c1-2-18(25)23-7-3-4-11-8-12(5-6-16(11)23)19(26)22-15-10-17(24)14(21)9-13(15)20/h2,5-6,8-10,24H,1,3-4,7H2,(H,22,26)
InChIKeyRUTWTQRZGRJVBV-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.39
Rot. Bonds3

About N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 166413158) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID166413158
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC NameN-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESC=CC(=O)N1CCCc2cc(C(=O)Nc3cc(O)c(F)cc3F)ccc21
InChIInChI=1S/C19H16F2N2O3/c1-2-18(25)23-7-3-4-11-8-12(5-6-16(11)23)19(26)22-15-10-17(24)14(21)9-13(15)20/h2,5-6,8-10,24H,1,3-4,7H2,(H,22,26)
InChIKeyRUTWTQRZGRJVBV-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-[(1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]urea
CID 166413301
N-(4-methylsulfinylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413269
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413321
N-(3-chloro-4-methylsulfonylphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167925841
N'-(1-methyl-6-oxopyridine-3-carbonyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carbohydrazide
CID 166413315
1-prop-2-enoyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413228
N-(2,2-dimethyl-1,1-dioxothietan-3-yl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413254
1-prop-2-enoyl-N-[[4-(trifluoromethyl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413171
N-(2-ethyl-2-phenylbutyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413233
N-[2-(1-methylpyrazol-3-yl)propan-2-yl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166413252
1-[6-[(1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166413208
N-[6-(2-carbamoylphenoxy)-3-pyridinyl]-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 154881504

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 166413158) is N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide is C=CC(=O)N1CCCc2cc(C(=O)Nc3cc(O)c(F)cc3F)ccc21.
What is the InChIKey of N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is RUTWTQRZGRJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-2-18(25)23-7-3-4-11-8-12(5-6-16(11)23)19(26)22-15-10-17(24)14(21)9-13(15)20/h2,5-6,8-10,24H,1,3-4,7H2,(H,22,26).
What are the key properties of N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-hydroxyphenyl)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 166413158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).