2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid

C18H15FN2O2 — CID 110432713

IUPAC2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(NCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)11-20-17-9-14(10-18(22)23)21-16-4-2-1-3-15(16)17/h1-9H,10-11H2,(H,20,21)(H,22,23)
InChIKeyMUCNRFJNWHEZTM-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.61
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid

2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid (PubChem CID 110432713) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
PubChem CID110432713
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(NCc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)11-20-17-9-14(10-18(22)23)21-16-4-2-1-3-15(16)17/h1-9H,10-11H2,(H,20,21)(H,22,23)
InChIKeyMUCNRFJNWHEZTM-UHFFFAOYSA-N
XLogP3.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
CID 110435469
2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid
CID 110432724
2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
CID 110432706
2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
CID 110435504
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
3-[(2-propylquinolin-4-yl)amino]propanoic acid
CID 122048260
2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435512
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
N-benzyl-2-chloro-7-fluoroquinolin-4-amine
CID 130992176
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid (CID 110432713) is 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid is O=C(O)Cc1cc(NCc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid?
The InChIKey is MUCNRFJNWHEZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-13-7-5-12(6-8-13)11-20-17-9-14(10-18(22)23)21-16-4-2-1-3-15(16)17/h1-9H,10-11H2,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid?
2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid has a molecular weight of 310.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid is sourced from PubChem (CID 110432713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).