[2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone

C19H25N3O3 — CID 166318436

IUPAC[2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone
SMILESCOCC1(COC)CCN1C(=O)c1cc(N(C)C)c2ccccc2n1
InChIInChI=1S/C19H25N3O3/c1-21(2)17-11-16(20-15-8-6-5-7-14(15)17)18(23)22-10-9-19(22,12-24-3)13-25-4/h5-8,11H,9-10,12-13H2,1-4H3
InChIKeyMSOYEJXNXVPFOW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.18
Rot. Bonds6

About [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone

[2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone (PubChem CID 166318436) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone.

Molecular Properties

Compound Name[2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone
PubChem CID166318436
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone
SMILESCOCC1(COC)CCN1C(=O)c1cc(N(C)C)c2ccccc2n1
InChIInChI=1S/C19H25N3O3/c1-21(2)17-11-16(20-15-8-6-5-7-14(15)17)18(23)22-10-9-19(22,12-24-3)13-25-4/h5-8,11H,9-10,12-13H2,1-4H3
InChIKeyMSOYEJXNXVPFOW-UHFFFAOYSA-N
XLogP2.18
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone?
The IUPAC name of [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone (CID 166318436) is [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone.
What is the SMILES notation for [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone?
The canonical SMILES for [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone is COCC1(COC)CCN1C(=O)c1cc(N(C)C)c2ccccc2n1.
What is the InChIKey of [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone?
The InChIKey is MSOYEJXNXVPFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21(2)17-11-16(20-15-8-6-5-7-14(15)17)18(23)22-10-9-19(22,12-24-3)13-25-4/h5-8,11H,9-10,12-13H2,1-4H3.
What are the key properties of [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone?
[2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(methoxymethyl)azetidin-1-yl]-[4-(dimethylamino)quinolin-2-yl]methanone is sourced from PubChem (CID 166318436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).