N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine

C19H13ClFN3O — CID 11245154

IUPACN-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine
SMILESCc1ccc(-c2nc3ccccc3c(Nc3ccnc(Cl)c3)c2F)o1
InChIInChI=1S/C19H13ClFN3O/c1-11-6-7-15(25-11)19-17(21)18(13-4-2-3-5-14(13)24-19)23-12-8-9-22-16(20)10-12/h2-10H,1H3,(H,22,23,24)
InChIKeyNJASRNUMEBYINH-UHFFFAOYSA-N
MW353.78 g/mol
LogP5.73
Rot. Bonds3

About N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine

N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine (PubChem CID 11245154) has the molecular formula C19H13ClFN3O and a molecular weight of 353.78 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine
PubChem CID11245154
Molecular FormulaC19H13ClFN3O
Molecular Weight353.78 g/mol
Exact Mass353.07
IUPAC NameN-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine
SMILESCc1ccc(-c2nc3ccccc3c(Nc3ccnc(Cl)c3)c2F)o1
InChIInChI=1S/C19H13ClFN3O/c1-11-6-7-15(25-11)19-17(21)18(13-4-2-3-5-14(13)24-19)23-12-8-9-22-16(20)10-12/h2-10H,1H3,(H,22,23,24)
InChIKeyNJASRNUMEBYINH-UHFFFAOYSA-N
XLogP5.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.78
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine?
The IUPAC name of N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine (CID 11245154) is N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine is Cc1ccc(-c2nc3ccccc3c(Nc3ccnc(Cl)c3)c2F)o1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine?
The InChIKey is NJASRNUMEBYINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O/c1-11-6-7-15(25-11)19-17(21)18(13-4-2-3-5-14(13)24-19)23-12-8-9-22-16(20)10-12/h2-10H,1H3,(H,22,23,24).
What are the key properties of N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine?
N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine has a molecular weight of 353.78 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-3-fluoro-2-(5-methylfuran-2-yl)quinolin-4-amine is sourced from PubChem (CID 11245154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).