[2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone

C24H25FN4O2 — CID 53328456

IUPAC[2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESNc1nc2cc(F)c(-c3ccccc3C(=O)N3CCCC3)cc2cc1N1CCOCC1
InChIInChI=1S/C24H25FN4O2/c25-20-15-21-16(14-22(23(26)27-21)28-9-11-31-12-10-28)13-19(20)17-5-1-2-6-18(17)24(30)29-7-3-4-8-29/h1-2,5-6,13-15H,3-4,7-12H2,(H2,26,27)
InChIKeyHSXGVVYHINREAJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.70
Rot. Bonds3

About [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone

[2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 53328456) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID53328456
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name[2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESNc1nc2cc(F)c(-c3ccccc3C(=O)N3CCCC3)cc2cc1N1CCOCC1
InChIInChI=1S/C24H25FN4O2/c25-20-15-21-16(14-22(23(26)27-21)28-9-11-31-12-10-28)13-19(20)17-5-1-2-6-18(17)24(30)29-7-3-4-8-29/h1-2,5-6,13-15H,3-4,7-12H2,(H2,26,27)
InChIKeyHSXGVVYHINREAJ-UHFFFAOYSA-N
XLogP3.70
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 53328456) is [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone is Nc1nc2cc(F)c(-c3ccccc3C(=O)N3CCCC3)cc2cc1N1CCOCC1.
What is the InChIKey of [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HSXGVVYHINREAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-20-15-21-16(14-22(23(26)27-21)28-9-11-31-12-10-28)13-19(20)17-5-1-2-6-18(17)24(30)29-7-3-4-8-29/h1-2,5-6,13-15H,3-4,7-12H2,(H2,26,27).
What are the key properties of [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone?
[2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 420.49 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-amino-7-fluoro-3-morpholin-4-ylquinolin-6-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53328456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).