N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide

C18H23N3O2 — CID 127247739

IUPACN,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCN(C)C(=O)C1(C)CN(Cc2cccc3cccnc23)CCO1
InChIInChI=1S/C18H23N3O2/c1-18(17(22)20(2)3)13-21(10-11-23-18)12-15-7-4-6-14-8-5-9-19-16(14)15/h4-9H,10-13H2,1-3H3
InChIKeyKSNKFTRJNBATEO-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.91
Rot. Bonds3

About N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide

N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide (PubChem CID 127247739) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
PubChem CID127247739
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCN(C)C(=O)C1(C)CN(Cc2cccc3cccnc23)CCO1
InChIInChI=1S/C18H23N3O2/c1-18(17(22)20(2)3)13-21(10-11-23-18)12-15-7-4-6-14-8-5-9-19-16(14)15/h4-9H,10-13H2,1-3H3
InChIKeyKSNKFTRJNBATEO-UHFFFAOYSA-N
XLogP1.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
(2S)-N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632636
N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 110253457
(2S)-2-methyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632634
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 124982186
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632641
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
CID 34787759
8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 64871920

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide (CID 127247739) is N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide is CN(C)C(=O)C1(C)CN(Cc2cccc3cccnc23)CCO1.
What is the InChIKey of N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The InChIKey is KSNKFTRJNBATEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(17(22)20(2)3)13-21(10-11-23-18)12-15-7-4-6-14-8-5-9-19-16(14)15/h4-9H,10-13H2,1-3H3.
What are the key properties of N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 127247739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).