4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide

C18H15FN2O2 — CID 123470928

IUPAC4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide
SMILESCC1C(C(N)=O)=Nc2cc(C=O)ccc2C1c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-10-16(12-3-5-13(19)6-4-12)14-7-2-11(9-22)8-15(14)21-17(10)18(20)23/h2-10,16H,1H3,(H2,20,23)
InChIKeyHRMAUQQEVWIPRS-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.98
Rot. Bonds3

About 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide

4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide (PubChem CID 123470928) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide
PubChem CID123470928
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide
SMILESCC1C(C(N)=O)=Nc2cc(C=O)ccc2C1c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2/c1-10-16(12-3-5-13(19)6-4-12)14-7-2-11(9-22)8-15(14)21-17(10)18(20)23/h2-10,16H,1H3,(H2,20,23)
InChIKeyHRMAUQQEVWIPRS-UHFFFAOYSA-N
XLogP2.98
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide (CID 123470928) is 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide is CC1C(C(N)=O)=Nc2cc(C=O)ccc2C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide?
The InChIKey is HRMAUQQEVWIPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-10-16(12-3-5-13(19)6-4-12)14-7-2-11(9-22)8-15(14)21-17(10)18(20)23/h2-10,16H,1H3,(H2,20,23).
What are the key properties of 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide?
4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-formyl-3-methyl-3,4-dihydroquinoline-2-carboxamide is sourced from PubChem (CID 123470928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).