2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

C20H21ClN2O4 — CID 138810347

IUPAC2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)C3(CCOCC3)C2)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H21ClN2O4/c1-12-8-15(14-9-13(21)2-3-17(14)22-12)18(24)23-10-16(19(25)26)20(11-23)4-6-27-7-5-20/h2-3,8-9,16H,4-7,10-11H2,1H3,(H,25,26)
InChIKeyUVRLBHAROTZNLD-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.15
Rot. Bonds2

About 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 138810347) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID138810347
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(C(=O)N2CC(C(=O)O)C3(CCOCC3)C2)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H21ClN2O4/c1-12-8-15(14-9-13(21)2-3-17(14)22-12)18(24)23-10-16(19(25)26)20(11-23)4-6-27-7-5-20/h2-3,8-9,16H,4-7,10-11H2,1H3,(H,25,26)
InChIKeyUVRLBHAROTZNLD-UHFFFAOYSA-N
XLogP3.15
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-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

(6-chloro-2-methylquinolin-4-yl)-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72911039
2-(6-chloroquinoline-5-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598613
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
N-[(3S)-1-(6-chloro-2-methylquinoline-4-carbonyl)piperidin-3-yl]acetamide
CID 99933106
2-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598536
2-N-(2,5-dichlorophenyl)-4-N-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912572
2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138809547
2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912598
2-[3-(2,2-dimethylpropanoylamino)-2-methylbenzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138810462
(6-chloro-2-methylquinolin-4-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97138571
[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 72838827
[(2R)-2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 97433787

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (CID 138810347) is 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is Cc1cc(C(=O)N2CC(C(=O)O)C3(CCOCC3)C2)c2cc(Cl)ccc2n1.
What is the InChIKey of 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is UVRLBHAROTZNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-12-8-15(14-9-13(21)2-3-17(14)22-12)18(24)23-10-16(19(25)26)20(11-23)4-6-27-7-5-20/h2-3,8-9,16H,4-7,10-11H2,1H3,(H,25,26).
What are the key properties of 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 388.85 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylquinoline-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 138810347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).