3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine

C20H14FN3 — CID 11301504

IUPAC3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine
SMILESFc1c(-c2ccccc2)nc2ccccc2c1Nc1ccncc1
InChIInChI=1S/C20H14FN3/c21-18-19(14-6-2-1-3-7-14)24-17-9-5-4-8-16(17)20(18)23-15-10-12-22-13-11-15/h1-13H,(H,22,23,24)
InChIKeyRVRXGQZATRCAQX-UHFFFAOYSA-N
MW315.35 g/mol
LogP5.18
Rot. Bonds3

About 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine

3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine (PubChem CID 11301504) has the molecular formula C20H14FN3 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Name3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine
PubChem CID11301504
Molecular FormulaC20H14FN3
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine
SMILESFc1c(-c2ccccc2)nc2ccccc2c1Nc1ccncc1
InChIInChI=1S/C20H14FN3/c21-18-19(14-6-2-1-3-7-14)24-17-9-5-4-8-16(17)20(18)23-15-10-12-22-13-11-15/h1-13H,(H,22,23,24)
InChIKeyRVRXGQZATRCAQX-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.35
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine?
The IUPAC name of 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine (CID 11301504) is 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine is Fc1c(-c2ccccc2)nc2ccccc2c1Nc1ccncc1.
What is the InChIKey of 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine?
The InChIKey is RVRXGQZATRCAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3/c21-18-19(14-6-2-1-3-7-14)24-17-9-5-4-8-16(17)20(18)23-15-10-12-22-13-11-15/h1-13H,(H,22,23,24).
What are the key properties of 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine?
3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine has a molecular weight of 315.35 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phenyl-N-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 11301504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).