2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide

C19H25N3O2 — CID 56703883

IUPAC2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCC2CN(C)CCO2)c2cccc(C)c2n1
InChIInChI=1S/C19H25N3O2/c1-13-5-4-6-16-17(11-14(2)21-18(13)16)19(23)20-8-7-15-12-22(3)9-10-24-15/h4-6,11,15H,7-10,12H2,1-3H3,(H,20,23)
InChIKeyNJSAMAXBGJCFEC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.30
Rot. Bonds4

About 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide

2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide (PubChem CID 56703883) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide
PubChem CID56703883
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCC2CN(C)CCO2)c2cccc(C)c2n1
InChIInChI=1S/C19H25N3O2/c1-13-5-4-6-16-17(11-14(2)21-18(13)16)19(23)20-8-7-15-12-22(3)9-10-24-15/h4-6,11,15H,7-10,12H2,1-3H3,(H,20,23)
InChIKeyNJSAMAXBGJCFEC-UHFFFAOYSA-N
XLogP2.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide (CID 56703883) is 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCC2CN(C)CCO2)c2cccc(C)c2n1.
What is the InChIKey of 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is NJSAMAXBGJCFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-4-6-16-17(11-14(2)21-18(13)16)19(23)20-8-7-15-12-22(3)9-10-24-15/h4-6,11,15H,7-10,12H2,1-3H3,(H,20,23).
What are the key properties of 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide?
2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 56703883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).