4-chloro-7-methoxy-6-(methoxymethoxy)quinoline

C12H12ClNO3 — CID 155125376

IUPAC4-chloro-7-methoxy-6-(methoxymethoxy)quinoline
SMILESCOCOc1cc2c(Cl)ccnc2cc1OC
InChIInChI=1S/C12H12ClNO3/c1-15-7-17-12-5-8-9(13)3-4-14-10(8)6-11(12)16-2/h3-6H,7H2,1-2H3
InChIKeySUZBXUURGBKQEL-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.88
Rot. Bonds4

About 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline

4-chloro-7-methoxy-6-(methoxymethoxy)quinoline (PubChem CID 155125376) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline.

Molecular Properties

Compound Name4-chloro-7-methoxy-6-(methoxymethoxy)quinoline
PubChem CID155125376
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Name4-chloro-7-methoxy-6-(methoxymethoxy)quinoline
SMILESCOCOc1cc2c(Cl)ccnc2cc1OC
InChIInChI=1S/C12H12ClNO3/c1-15-7-17-12-5-8-9(13)3-4-14-10(8)6-11(12)16-2/h3-6H,7H2,1-2H3
InChIKeySUZBXUURGBKQEL-UHFFFAOYSA-N
XLogP2.88
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6,7-Dimethoxy-1-methylisoquinoline
CID 20725
4-Chloro-7-methoxyquinoline
CID 10607829
4-Chloro-6-methoxyquinoline
CID 228348
4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328841
4-(3-Chloro-4-fluorophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328851
4-[(4-Chloro-2-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328852
4-[(3-Chloro-4-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328861
4-[(2,4-Dichlorophenyl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile
CID 5328887
N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 5328888
4-[(4-Chloro-2-iodophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328908
4-[(2-Chloro-5-methoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine
CID 5329017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline?
The IUPAC name of 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline (CID 155125376) is 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline.
What is the SMILES notation for 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline?
The canonical SMILES for 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline is COCOc1cc2c(Cl)ccnc2cc1OC.
What is the InChIKey of 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline?
The InChIKey is SUZBXUURGBKQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-15-7-17-12-5-8-9(13)3-4-14-10(8)6-11(12)16-2/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline?
4-chloro-7-methoxy-6-(methoxymethoxy)quinoline has a molecular weight of 253.69 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-6-(methoxymethoxy)quinoline is sourced from PubChem (CID 155125376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).