2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine

C23H30N4O2 — CID 176863384

IUPAC2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine
SMILESCc1ccnc2cc(-c3cnn(C(C)C)c3)cc(OCC3CNCC(C)(C)O3)c12
InChIInChI=1S/C23H30N4O2/c1-15(2)27-12-18(10-26-27)17-8-20-22(16(3)6-7-25-20)21(9-17)28-13-19-11-24-14-23(4,5)29-19/h6-10,12,15,19,24H,11,13-14H2,1-5H3
InChIKeyFBVJPQLNEKCCEI-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.13
Rot. Bonds5

About 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine

2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine (PubChem CID 176863384) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine
PubChem CID176863384
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine
SMILESCc1ccnc2cc(-c3cnn(C(C)C)c3)cc(OCC3CNCC(C)(C)O3)c12
InChIInChI=1S/C23H30N4O2/c1-15(2)27-12-18(10-26-27)17-8-20-22(16(3)6-7-25-20)21(9-17)28-13-19-11-24-14-23(4,5)29-19/h6-10,12,15,19,24H,11,13-14H2,1-5H3
InChIKeyFBVJPQLNEKCCEI-UHFFFAOYSA-N
XLogP4.13
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine?
The IUPAC name of 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine (CID 176863384) is 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine.
What is the SMILES notation for 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine?
The canonical SMILES for 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine is Cc1ccnc2cc(-c3cnn(C(C)C)c3)cc(OCC3CNCC(C)(C)O3)c12.
What is the InChIKey of 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine?
The InChIKey is FBVJPQLNEKCCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-15(2)27-12-18(10-26-27)17-8-20-22(16(3)6-7-25-20)21(9-17)28-13-19-11-24-14-23(4,5)29-19/h6-10,12,15,19,24H,11,13-14H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine?
2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine has a molecular weight of 394.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[4-methyl-7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]morpholine is sourced from PubChem (CID 176863384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).