[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone

C19H21F2N3O2 — CID 171143869

IUPAC[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone
SMILESCOCC1CC(F)(F)CN1C1CN(C(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C19H21F2N3O2/c1-26-11-14-8-19(20,21)12-24(14)15-9-23(10-15)18(25)17-7-6-13-4-2-3-5-16(13)22-17/h2-7,14-15H,8-12H2,1H3
InChIKeyVMSJYDXIPCZCJI-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.42
Rot. Bonds4

About [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone

[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 171143869) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone
PubChem CID171143869
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone
SMILESCOCC1CC(F)(F)CN1C1CN(C(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C19H21F2N3O2/c1-26-11-14-8-19(20,21)12-24(14)15-9-23(10-15)18(25)17-7-6-13-4-2-3-5-16(13)22-17/h2-7,14-15H,8-12H2,1H3
InChIKeyVMSJYDXIPCZCJI-UHFFFAOYSA-N
XLogP2.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone (CID 171143869) is [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone is COCC1CC(F)(F)CN1C1CN(C(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is VMSJYDXIPCZCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-26-11-14-8-19(20,21)12-24(14)15-9-23(10-15)18(25)17-7-6-13-4-2-3-5-16(13)22-17/h2-7,14-15H,8-12H2,1H3.
What are the key properties of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone?
[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 361.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 171143869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).