(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide

C22H23N3O3 — CID 95305079

IUPAC(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)C[C@H](C)O1
InChIInChI=1S/C22H23N3O3/c1-15-13-25(14-16(2)27-15)22(26)24-18-8-10-19(11-9-18)28-20-7-3-5-17-6-4-12-23-21(17)20/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyVOZXNDXLSVSIMA-HOTGVXAUSA-N
MW377.44 g/mol
LogP4.67
Rot. Bonds3

About (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide

(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide (PubChem CID 95305079) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
PubChem CID95305079
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)C[C@H](C)O1
InChIInChI=1S/C22H23N3O3/c1-15-13-25(14-16(2)27-15)22(26)24-18-8-10-19(11-9-18)28-20-7-3-5-17-6-4-12-23-21(17)20/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyVOZXNDXLSVSIMA-HOTGVXAUSA-N
XLogP4.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-cyanophenoxy)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577589
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
CID 166181923
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
CID 52519697
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601558
(2R,6R)-2,6-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 94148495
4-quinolin-8-yloxybenzoic acid
CID 28825287
N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601662

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide?
The IUPAC name of (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide (CID 95305079) is (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide is C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide?
The InChIKey is VOZXNDXLSVSIMA-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-13-25(14-16(2)27-15)22(26)24-18-8-10-19(11-9-18)28-20-7-3-5-17-6-4-12-23-21(17)20/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)/t15-,16-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide?
(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 95305079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).