4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline

C25H14Cl3F4N3 — CID 157077351

IUPAC4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
SMILESCc1c(-c2cccnc2)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cl)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C15H9ClF2N2.C10H5Cl2F2N/c1-8-14(16)13-11(18)5-10(17)6-12(13)20-15(8)9-3-2-4-19-7-9;1-4-9(11)8-6(14)2-5(13)3-7(8)15-10(4)12/h2-7H,1H3;2-3H,1H3
InChIKeyADCXYCDNAHKZLJ-UHFFFAOYSA-N
MW538.76 g/mol
LogP8.67
Rot. Bonds1

About 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline

4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline (PubChem CID 157077351) has the molecular formula C25H14Cl3F4N3 and a molecular weight of 538.76 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
PubChem CID157077351
Molecular FormulaC25H14Cl3F4N3
Molecular Weight538.76 g/mol
Exact Mass537.02
IUPAC Name4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
SMILESCc1c(-c2cccnc2)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cl)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C15H9ClF2N2.C10H5Cl2F2N/c1-8-14(16)13-11(18)5-10(17)6-12(13)20-15(8)9-3-2-4-19-7-9;1-4-9(11)8-6(14)2-5(13)3-7(8)15-10(4)12/h2-7H,1H3;2-3H,1H3
InChIKeyADCXYCDNAHKZLJ-UHFFFAOYSA-N
XLogP8.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.76
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline with MolForge

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Related Compounds

Piperaquine
CID 122262
7-Chloro-3-pyridin-4-yl-quinoline
CID 10354294
(R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156478
N,N'-bis(7-chloro-4-quinolyl)hexane-1,6-diamine
CID 434361
1-[[4-[2-[4-[[4-(4-chloro-N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]ethyl]phenyl]methyl]-N-(4-chlorophenyl)-N-methylquinolin-1-ium-4-amine dibromide
CID 11193856
4-Chloro-8-(trifluoromethyl)quinoline
CID 90262
8-fluoro-5-(4-fluorophenyl)-2-(4-quinolin-4-ylbutyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 13900391
N,N'-bis(7-chloroquinolin-4-yl)heptane-1,7-diamine
CID 9981343
N,N'-bis(7-chloroquinolin-4-yl)pentane-1,5-diamine
CID 10093891
8-(3-(1-(4-Chlorophenyl)-2-(pyridin-4-yl)ethyl)phenyl)-6-isopropylquinoline
CID 10183196
7-chloro-N-(3-(3-(7-chloroquinolin-4-ylamino)propylamino)propyl)quinolin-4-amine
CID 10575691
Na(2)-(7-Chloro-4-quinolinyl)-N-[3-[(7-chloro-4-quinolinyl)amino]propyl]-N-methyl-1,3-propanediamine
CID 10576232

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?
The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline (CID 157077351) is 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline.
What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?
The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline is Cc1c(-c2cccnc2)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cl)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?
The InChIKey is ADCXYCDNAHKZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2.C10H5Cl2F2N/c1-8-14(16)13-11(18)5-10(17)6-12(13)20-15(8)9-3-2-4-19-7-9;1-4-9(11)8-6(14)2-5(13)3-7(8)15-10(4)12/h2-7H,1H3;2-3H,1H3.
What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?
4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline has a molecular weight of 538.76 g/mol, XLogP of 8.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoro-3-methyl-2-pyridin-3-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline is sourced from PubChem (CID 157077351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).