methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate

C23H23FN2O3 — CID 141344878

IUPACmethyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(NC3CCOC(C)C3)cc2c1
InChIInChI=1S/C23H23FN2O3/c1-14-11-19(9-10-29-14)25-21-13-17-12-16(23(27)28-2)5-8-20(17)26-22(21)15-3-6-18(24)7-4-15/h3-8,12-14,19,25H,9-11H2,1-2H3
InChIKeyPYGIESHPSSMXPR-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.81
Rot. Bonds4

About methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate

methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate (PubChem CID 141344878) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate
PubChem CID141344878
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Namemethyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(NC3CCOC(C)C3)cc2c1
InChIInChI=1S/C23H23FN2O3/c1-14-11-19(9-10-29-14)25-21-13-17-12-16(23(27)28-2)5-8-20(17)26-22(21)15-3-6-18(24)7-4-15/h3-8,12-14,19,25H,9-11H2,1-2H3
InChIKeyPYGIESHPSSMXPR-UHFFFAOYSA-N
XLogP4.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate with MolForge

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Related Compounds

methyl 3-[(4-acetamidocyclohexyl)methylamino]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344676
methyl 3-[[(2S)-butan-2-yl]amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344700
methyl 3-[cyclopentyl(methyl)amino]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344743
methyl 3-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 141344541
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
CID 70664630
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate
CID 70664870
methyl 4-(cyclopropylamino)-3-fluorobenzoate
CID 139271670
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
methyl 4-[(2-tert-butyloxan-4-yl)amino]quinazoline-6-carboxylate
CID 166294036
4-[(2-methyloxan-4-yl)amino]-3-nitrobenzamide
CID 103889115
2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114195487

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate (CID 141344878) is methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(NC3CCOC(C)C3)cc2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate?
The InChIKey is PYGIESHPSSMXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-14-11-19(9-10-29-14)25-21-13-17-12-16(23(27)28-2)5-8-20(17)26-22(21)15-3-6-18(24)7-4-15/h3-8,12-14,19,25H,9-11H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate?
methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate has a molecular weight of 394.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-[(2-methyloxan-4-yl)amino]quinoline-6-carboxylate is sourced from PubChem (CID 141344878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).