ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

C73H57F3N10O5 — CID 159271968

IUPACethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOC(=O)c1ccc2c(-c3ccc(F)cc3)cc(-c3ccnc(C)c3)nc2c1.Cc1cc(-c2cc(-c3ccc(F)cc3)c3ccc(C(=O)NCCCc4ncn[nH]4)cc3n2)ccn1.Cc1cc(-c2cc(-c3ccc(F)cc3)c3ccc(C(=O)O)cc3n2)ccn1
InChIInChI=1S/C27H23FN6O.C24H19FN2O2.C22H15FN2O2/c1-17-13-19(10-12-29-17)24-15-23(18-4-7-21(28)8-5-18)22-9-6-20(14-25(22)33-24)27(35)30-11-2-3-26-31-16-32-34-26;1-3-29-24(28)18-6-9-20-21(16-4-7-19(25)8-5-16)14-22(27-23(20)13-18)17-10-11-26-15(2)12-17;1-13-10-15(8-9-24-13)20-12-19(14-2-5-17(23)6-3-14)18-7-4-16(22(26)27)11-21(18)25-20/h4-10,12-16H,2-3,11H2,1H3,(H,30,35)(H,31,32,34);4-14H,3H2,1-2H3;2-12H,1H3,(H,26,27)
InChIKeyKXVCOBHGBNGBDB-UHFFFAOYSA-N
MW1211.32 g/mol
LogP15.59
Rot. Bonds14

About ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 159271968) has the molecular formula C73H57F3N10O5 and a molecular weight of 1211.32 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID159271968
Molecular FormulaC73H57F3N10O5
Molecular Weight1211.32 g/mol
Exact Mass1210.45
IUPAC Nameethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOC(=O)c1ccc2c(-c3ccc(F)cc3)cc(-c3ccnc(C)c3)nc2c1.Cc1cc(-c2cc(-c3ccc(F)cc3)c3ccc(C(=O)NCCCc4ncn[nH]4)cc3n2)ccn1.Cc1cc(-c2cc(-c3ccc(F)cc3)c3ccc(C(=O)O)cc3n2)ccn1
InChIInChI=1S/C27H23FN6O.C24H19FN2O2.C22H15FN2O2/c1-17-13-19(10-12-29-17)24-15-23(18-4-7-21(28)8-5-18)22-9-6-20(14-25(22)33-24)27(35)30-11-2-3-26-31-16-32-34-26;1-3-29-24(28)18-6-9-20-21(16-4-7-19(25)8-5-16)14-22(27-23(20)13-18)17-10-11-26-15(2)12-17;1-13-10-15(8-9-24-13)20-12-19(14-2-5-17(23)6-3-14)18-7-4-16(22(26)27)11-21(18)25-20/h4-10,12-16H,2-3,11H2,1H3,(H,30,35)(H,31,32,34);4-14H,3H2,1-2H3;2-12H,1H3,(H,26,27)
InChIKeyKXVCOBHGBNGBDB-UHFFFAOYSA-N
XLogP15.59
TPSA211.61 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.32
LogP ≤ 515.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide with MolForge

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Related Compounds

[amino-[4-[3-phenyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methyl] 2,2,2-trifluoroacetate
CID 68379505
[amino-[4-[3-phenyl-5-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,6-naphthyridin-2-yl]phenyl]methyl] 2,2,2-trifluoroacetate
CID 68379588
[amino-[4-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methylcarbamoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl] 2,2,2-trifluoroacetate
CID 68379908
4-[3-ethyl-5-[[4-[4-[3-[6-[[3-ethyl-5-(1-methylpyrazol-4-yl)phenyl]carbamoyl]-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-4-pyridinyl]-2-methylphenyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]amino]phenyl]benzoic acid
CID 145539218
2-butyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;2-cyclopropyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;methyl 2,6-diethylpyridine-4-carboxylate;methyl 2-ethyl-6-propan-2-ylpyridine-4-carboxylate;N-methyl-4-(1H-1,2,4-triazol-5-yl)pyridin-2-amine
CID 157948679
1-(5-anilinobenzo[c][2,6]naphthyridin-8-yl)ethanone;5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;N',N'-dimethyl-N-[8-(4H-pyrazol-3-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(4H-pyrazol-3-yl)benzo[c][2,6]naphthyridin-5-amine
CID 157999773
lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide
CID 158367632
5-[2-(dimethylamino)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-hydroxypropyl)-3-(2H-tetrazol-5-yl)phenanthridin-6-one;methyl 5-anilinobenzo[c][2,6]naphthyridine-8-carboxylate;N-phenyl-8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 159367588
lithium;bis(4-(3-carbamoyl-2-methylanilino)-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide);methane;2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoic acid;methyl 2-methyl-3-[[3-(methylcarbamoyl)-6-(pyridin-2-ylamino)pyridazin-4-yl]amino]benzoate;N-methyl-4-[2-methyl-3-(1H-1,2,4-triazol-5-yl)anilino]-6-(pyridin-2-ylamino)pyridazine-3-carboxamide;hydroxide
CID 159835239
5-anilinobenzo[c][2,6]naphthyridine-8-carboxylic acid;N',N'-dimethyl-N-[8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]ethane-1,2-diamine;8-(2H-tetrazol-5-yl)-6H-benzo[c][2,6]naphthyridin-5-one
CID 160162938
5-(3,5-Difluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid;5-[2-(3-fluorophenyl)ethylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid;5-(3-phenylpropylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 160211884
2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylic acid;2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide;methyl 2-chloro-4-ethoxyquinoline-7-carboxylate;methyl 2-(3,6-dihydro-2H-pyran-4-yl)-4-ethoxyquinoline-7-carboxylate;3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 161238750

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (CID 159271968) is ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is CCOC(=O)c1ccc2c(-c3ccc(F)cc3)cc(-c3ccnc(C)c3)nc2c1.Cc1cc(-c2cc(-c3ccc(F)cc3)c3ccc(C(=O)NCCCc4ncn[nH]4)cc3n2)ccn1.Cc1cc(-c2cc(-c3ccc(F)cc3)c3ccc(C(=O)O)cc3n2)ccn1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is KXVCOBHGBNGBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O.C24H19FN2O2.C22H15FN2O2/c1-17-13-19(10-12-29-17)24-15-23(18-4-7-21(28)8-5-18)22-9-6-20(14-25(22)33-24)27(35)30-11-2-3-26-31-16-32-34-26;1-3-29-24(28)18-6-9-20-21(16-4-7-19(25)8-5-16)14-22(27-23(20)13-18)17-10-11-26-15(2)12-17;1-13-10-15(8-9-24-13)20-12-19(14-2-5-17(23)6-3-14)18-7-4-16(22(26)27)11-21(18)25-20/h4-10,12-16H,2-3,11H2,1H3,(H,30,35)(H,31,32,34);4-14H,3H2,1-2H3;2-12H,1H3,(H,26,27).
What are the key properties of ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 1211.32 g/mol, XLogP of 15.59, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylate;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)quinoline-7-carboxylic acid;4-(4-fluorophenyl)-2-(2-methyl-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 159271968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).