2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline

C31H24Cl2F3N3O4 — CID 158115274

IUPAC2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline
SMILESCOc1ccc2c(Cl)cc(Cl)nc2c1.COc1ccc2c(F)cc(F)nc2c1.COc1ccc2c(F)cc(OC)nc2c1
InChIInChI=1S/C11H10FNO2.C10H7Cl2NO.C10H7F2NO/c1-14-7-3-4-8-9(12)6-11(15-2)13-10(8)5-7;2*1-14-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h3-6H,1-2H3;2*2-5H,1H3
InChIKeyFQXQSUCZKWSFCR-UHFFFAOYSA-N
MW630.45 g/mol
LogP8.46
Rot. Bonds4

About 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline

2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline (PubChem CID 158115274) has the molecular formula C31H24Cl2F3N3O4 and a molecular weight of 630.45 g/mol. Its IUPAC name is 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline.

Molecular Properties

Compound Name2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline
PubChem CID158115274
Molecular FormulaC31H24Cl2F3N3O4
Molecular Weight630.45 g/mol
Exact Mass629.11
IUPAC Name2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline
SMILESCOc1ccc2c(Cl)cc(Cl)nc2c1.COc1ccc2c(F)cc(F)nc2c1.COc1ccc2c(F)cc(OC)nc2c1
InChIInChI=1S/C11H10FNO2.C10H7Cl2NO.C10H7F2NO/c1-14-7-3-4-8-9(12)6-11(15-2)13-10(8)5-7;2*1-14-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h3-6H,1-2H3;2*2-5H,1H3
InChIKeyFQXQSUCZKWSFCR-UHFFFAOYSA-N
XLogP8.46
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.45
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline with MolForge

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Launch Full Analysis

Related Compounds

2-Chloro-3-(chloromethyl)-7-methoxyquinoline
CID 2512529
2-Chloro-7-methoxy-4-methylquinoline
CID 732214
1,8-Octanediamine, N,N'-bis(2-chloro-6-methoxy-9-acridinyl)-
CID 100225
3-[[(3R)-4,4-difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]-2,7-dimethoxyquinoline
CID 134158003
6-Chloro-2-(4-methoxyphenyl)-4-phenylquinoline
CID 309231
2-[7-[(3-Chloro-4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol
CID 86301177
3,6-Bis(2-piperidinoethoxy)acridine trihydrochloride
CID 133711
2-Chloro-4-(4-methoxyphenyl)-3-phenylquinoline
CID 4663035
4-Chloro-7-methoxy-2-methylquinoline
CID 10822232
2-Chloro-5-methoxyquinoline
CID 11019719
4-Chloro-2-(4-methoxyphenyl)quinoline
CID 15481382
N-benzyl-1-(2-chloro-7-methoxyquinolin-3-yl)methanimine oxide
CID 151211867

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline?
The IUPAC name of 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline (CID 158115274) is 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline.
What is the SMILES notation for 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline?
The canonical SMILES for 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline is COc1ccc2c(Cl)cc(Cl)nc2c1.COc1ccc2c(F)cc(F)nc2c1.COc1ccc2c(F)cc(OC)nc2c1.
What is the InChIKey of 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline?
The InChIKey is FQXQSUCZKWSFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2.C10H7Cl2NO.C10H7F2NO/c1-14-7-3-4-8-9(12)6-11(15-2)13-10(8)5-7;2*1-14-6-2-3-7-8(11)5-10(12)13-9(7)4-6/h3-6H,1-2H3;2*2-5H,1H3.
What are the key properties of 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline?
2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline has a molecular weight of 630.45 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-methoxyquinoline;2,4-difluoro-7-methoxyquinoline;4-fluoro-2,7-dimethoxyquinoline is sourced from PubChem (CID 158115274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).