N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C20H22N4O2 — CID 46979484

IUPACN-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCN(CC1(C)COC1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C20H22N4O2/c1-20(12-26-13-20)11-23(2)19(25)16-8-18(14-9-21-24(3)10-14)22-17-7-5-4-6-15(16)17/h4-10H,11-13H2,1-3H3
InChIKeyWPOGDLDYMDHZOV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.74
Rot. Bonds4

About N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 46979484) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID46979484
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCN(CC1(C)COC1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C20H22N4O2/c1-20(12-26-13-20)11-23(2)19(25)16-8-18(14-9-21-24(3)10-14)22-17-7-5-4-6-15(16)17/h4-10H,11-13H2,1-3H3
InChIKeyWPOGDLDYMDHZOV-UHFFFAOYSA-N
XLogP2.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 46979484) is N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is CN(CC1(C)COC1)C(=O)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is WPOGDLDYMDHZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(12-26-13-20)11-23(2)19(25)16-8-18(14-9-21-24(3)10-14)22-17-7-5-4-6-15(16)17/h4-10H,11-13H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46979484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).