N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide

C18H16Cl2F2N2O2 — CID 156663855

IUPACN-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESCOC1CCC(F)(C(=O)NCc2c(F)cc(Cl)cc2Cl)c2cccnc21
InChIInChI=1S/C18H16Cl2F2N2O2/c1-26-15-4-5-18(22,12-3-2-6-23-16(12)15)17(25)24-9-11-13(20)7-10(19)8-14(11)21/h2-3,6-8,15H,4-5,9H2,1H3,(H,24,25)
InChIKeyDMRIBHMCBPRAIW-UHFFFAOYSA-N
MW401.24 g/mol
LogP4.49
Rot. Bonds4

About N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide

N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide (PubChem CID 156663855) has the molecular formula C18H16Cl2F2N2O2 and a molecular weight of 401.24 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide
PubChem CID156663855
Molecular FormulaC18H16Cl2F2N2O2
Molecular Weight401.24 g/mol
Exact Mass400.06
IUPAC NameN-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESCOC1CCC(F)(C(=O)NCc2c(F)cc(Cl)cc2Cl)c2cccnc21
InChIInChI=1S/C18H16Cl2F2N2O2/c1-26-15-4-5-18(22,12-3-2-6-23-16(12)15)17(25)24-9-11-13(20)7-10(19)8-14(11)21/h2-3,6-8,15H,4-5,9H2,1H3,(H,24,25)
InChIKeyDMRIBHMCBPRAIW-UHFFFAOYSA-N
XLogP4.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide (CID 156663855) is N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide is COC1CCC(F)(C(=O)NCc2c(F)cc(Cl)cc2Cl)c2cccnc21.
What is the InChIKey of N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The InChIKey is DMRIBHMCBPRAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O2/c1-26-15-4-5-18(22,12-3-2-6-23-16(12)15)17(25)24-9-11-13(20)7-10(19)8-14(11)21/h2-3,6-8,15H,4-5,9H2,1H3,(H,24,25).
What are the key properties of N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide?
N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide has a molecular weight of 401.24 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide is sourced from PubChem (CID 156663855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).