5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid

C13H14ClNO3 — CID 82625270

IUPAC5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid
SMILESCOc1ccc2c(c1Cl)C(C(=O)O)C1(CC1)CN2
InChIInChI=1S/C13H14ClNO3/c1-18-8-3-2-7-9(11(8)14)10(12(16)17)13(4-5-13)6-15-7/h2-3,10,15H,4-6H2,1H3,(H,16,17)
InChIKeyXRDFRLNQTPEVSR-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.72
Rot. Bonds2

About 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid

5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid (PubChem CID 82625270) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid
PubChem CID82625270
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid
SMILESCOc1ccc2c(c1Cl)C(C(=O)O)C1(CC1)CN2
InChIInChI=1S/C13H14ClNO3/c1-18-8-3-2-7-9(11(8)14)10(12(16)17)13(4-5-13)6-15-7/h2-3,10,15H,4-6H2,1H3,(H,16,17)
InChIKeyXRDFRLNQTPEVSR-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-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

2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
CID 82624017
4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
CID 82277350
4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
CID 84802229
5-(2,3-dichloro-6-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 175831393
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268
(E)-4-(2,3-dichloro-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 82551153
5-(2,5-dichloro-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117468457
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
(3R)-8-chloro-4,4-difluoro-3-hydroxy-7-methoxy-2,3-dihydroisoquinolin-1-one
CID 129410873
(3aS,9bS)-6-chloro-7-methoxy-3a-methyl-1,2,3,4,5,9b-hexahydrobenzo[e]isoindole;hydrochloride
CID 70664756

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid?
The IUPAC name of 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid (CID 82625270) is 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid.
What is the SMILES notation for 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid?
The canonical SMILES for 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid is COc1ccc2c(c1Cl)C(C(=O)O)C1(CC1)CN2.
What is the InChIKey of 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid?
The InChIKey is XRDFRLNQTPEVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-18-8-3-2-7-9(11(8)14)10(12(16)17)13(4-5-13)6-15-7/h2-3,10,15H,4-6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid?
5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid has a molecular weight of 267.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxyspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid is sourced from PubChem (CID 82625270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).