(2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid

C15H19ClN2O3 — CID 174210765

IUPAC(2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCO[C@@H](CN2CCCc3cc(Cl)ccc32)C1
InChIInChI=1S/C15H19ClN2O3/c16-12-3-4-14-11(8-12)2-1-5-17(14)9-13-10-18(15(19)20)6-7-21-13/h3-4,8,13H,1-2,5-7,9-10H2,(H,19,20)/t13-/m0/s1
InChIKeySDXNREMUVGIIIV-ZDUSSCGKSA-N
MW310.78 g/mol
LogP2.47
Rot. Bonds2

About (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid

(2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid (PubChem CID 174210765) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid
PubChem CID174210765
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid
SMILESO=C(O)N1CCO[C@@H](CN2CCCc3cc(Cl)ccc32)C1
InChIInChI=1S/C15H19ClN2O3/c16-12-3-4-14-11(8-12)2-1-5-17(14)9-13-10-18(15(19)20)6-7-21-13/h3-4,8,13H,1-2,5-7,9-10H2,(H,19,20)/t13-/m0/s1
InChIKeySDXNREMUVGIIIV-ZDUSSCGKSA-N
XLogP2.47
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid
CID 174210432
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
(2S)-2-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]morpholine-4-carboxylic acid
CID 67220680
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)benzoic acid
CID 114218452
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 56809620
2-ethylmorpholine-4-carboxylic acid
CID 121455686
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
2-[[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]methyl]morpholine-4-carboxylic acid
CID 69016988
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid (CID 174210765) is (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid is O=C(O)N1CCO[C@@H](CN2CCCc3cc(Cl)ccc32)C1.
What is the InChIKey of (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid?
The InChIKey is SDXNREMUVGIIIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-12-3-4-14-11(8-12)2-1-5-17(14)9-13-10-18(15(19)20)6-7-21-13/h3-4,8,13H,1-2,5-7,9-10H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid?
(2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 174210765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).