6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline

C20H19F2N3O — CID 10108852

IUPAC6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2cc(F)c(OCc3cccnc3F)cc2n1
InChIInChI=1S/C20H19F2N3O/c1-13-9-18(25-7-2-3-8-25)15-10-16(21)19(11-17(15)24-13)26-12-14-5-4-6-23-20(14)22/h4-6,9-11H,2-3,7-8,12H2,1H3
InChIKeyXHQZQRBRMJGODJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.40
Rot. Bonds4

About 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline

6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline (PubChem CID 10108852) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
PubChem CID10108852
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
SMILESCc1cc(N2CCCC2)c2cc(F)c(OCc3cccnc3F)cc2n1
InChIInChI=1S/C20H19F2N3O/c1-13-9-18(25-7-2-3-8-25)15-10-16(21)19(11-17(15)24-13)26-12-14-5-4-6-23-20(14)22/h4-6,9-11H,2-3,7-8,12H2,1H3
InChIKeyXHQZQRBRMJGODJ-UHFFFAOYSA-N
XLogP4.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
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 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline?
The IUPAC name of 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline (CID 10108852) is 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline?
The canonical SMILES for 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline is Cc1cc(N2CCCC2)c2cc(F)c(OCc3cccnc3F)cc2n1.
What is the InChIKey of 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline?
The InChIKey is XHQZQRBRMJGODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-13-9-18(25-7-2-3-8-25)15-10-16(21)19(11-17(15)24-13)26-12-14-5-4-6-23-20(14)22/h4-6,9-11H,2-3,7-8,12H2,1H3.
What are the key properties of 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline?
6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline has a molecular weight of 355.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(2-fluoro-3-pyridinyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 10108852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).