N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide

C21H27N3O3 — CID 90607272

IUPACN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C21H27N3O3/c25-21(20-6-5-17-3-1-2-4-19(17)22-20)24(18-7-13-26-14-8-18)10-9-23-11-15-27-16-12-23/h1-6,18H,7-16H2
InChIKeyUIQGNADYKBWBMH-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.19
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide

N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide (PubChem CID 90607272) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide
PubChem CID90607272
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C21H27N3O3/c25-21(20-6-5-17-3-1-2-4-19(17)22-20)24(18-7-13-26-14-8-18)10-9-23-11-15-27-16-12-23/h1-6,18H,7-16H2
InChIKeyUIQGNADYKBWBMH-UHFFFAOYSA-N
XLogP2.19
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide (CID 90607272) is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide is O=C(c1ccc2ccccc2n1)N(CCN1CCOCC1)C1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide?
The InChIKey is UIQGNADYKBWBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-21(20-6-5-17-3-1-2-4-19(17)22-20)24(18-7-13-26-14-8-18)10-9-23-11-15-27-16-12-23/h1-6,18H,7-16H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide?
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 90607272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).