(2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid

C23H26N2O4S — CID 170172868

IUPAC(2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2cc(OC[C@@H]3CN(C(=O)O)CCO3)c3cccnc3c2)s1
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)21-7-6-20(30-21)15-11-18-17(5-4-8-24-18)19(12-15)29-14-16-13-25(22(26)27)9-10-28-16/h4-8,11-12,16H,9-10,13-14H2,1-3H3,(H,26,27)/t16-/m0/s1
InChIKeyGJZNWRZAEWSPTM-INIZCTEOSA-N
MW426.54 g/mol
LogP5.02
Rot. Bonds4

About (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid

(2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid (PubChem CID 170172868) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid
PubChem CID170172868
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name(2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2cc(OC[C@@H]3CN(C(=O)O)CCO3)c3cccnc3c2)s1
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)21-7-6-20(30-21)15-11-18-17(5-4-8-24-18)19(12-15)29-14-16-13-25(22(26)27)9-10-28-16/h4-8,11-12,16H,9-10,13-14H2,1-3H3,(H,26,27)/t16-/m0/s1
InChIKeyGJZNWRZAEWSPTM-INIZCTEOSA-N
XLogP5.02
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid with MolForge

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Related Compounds

(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92758229
(2S)-2-[[7-(4-tert-butylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 118633318
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 4988485
(2-fluoro-3-pyridinyl)-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]methanone
CID 5016333
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid
CID 87400743
tert-butyl (6S)-6-[(7-bromoquinolin-5-yl)oxymethyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxylate
CID 176863432
2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
tert-butyl (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxylate
CID 86706987
[(2R)-2-[(2-methoxy-4-methylphenoxy)methyl]morpholin-4-yl]-(2-methylphenyl)methanone
CID 93336839
4,6-dimethyl-5-[2-(quinazolin-4-yloxymethyl)morpholine-4-carbonyl]pyran-2-one
CID 74224302
2-[(2-chloro-3-pyridinyl)oxymethyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87680787

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid (CID 170172868) is (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid is CC(C)(C)c1ccc(-c2cc(OC[C@@H]3CN(C(=O)O)CCO3)c3cccnc3c2)s1.
What is the InChIKey of (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid?
The InChIKey is GJZNWRZAEWSPTM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-23(2,3)21-7-6-20(30-21)15-11-18-17(5-4-8-24-18)19(12-15)29-14-16-13-25(22(26)27)9-10-28-16/h4-8,11-12,16H,9-10,13-14H2,1-3H3,(H,26,27)/t16-/m0/s1.
What are the key properties of (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid?
(2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid has a molecular weight of 426.54 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[7-(5-tert-butylthiophen-2-yl)quinolin-5-yl]oxymethyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 170172868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).