N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

C19H16ClFN4OS — CID 60548698

IUPACN-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2Cc1nnsc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4OS/c20-18-16(23-24-27-18)11-25-10-2-3-14-15(4-1-5-17(14)25)22-19(26)12-6-8-13(21)9-7-12/h1,4-9H,2-3,10-11H2,(H,22,26)
InChIKeyLJIHFNFKJOJOHS-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.54
Rot. Bonds4

About N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 60548698) has the molecular formula C19H16ClFN4OS and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID60548698
Molecular FormulaC19H16ClFN4OS
Molecular Weight402.88 g/mol
Exact Mass402.07
IUPAC NameN-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2Cc1nnsc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4OS/c20-18-16(23-24-27-18)11-25-10-2-3-14-15(4-1-5-17(14)25)22-19(26)12-6-8-13(21)9-7-12/h1,4-9H,2-3,10-11H2,(H,22,26)
InChIKeyLJIHFNFKJOJOHS-UHFFFAOYSA-N
XLogP4.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 60548698) is N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is O=C(Nc1cccc2c1CCCN2Cc1nnsc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is LJIHFNFKJOJOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4OS/c20-18-16(23-24-27-18)11-25-10-2-3-14-15(4-1-5-17(14)25)22-19(26)12-6-8-13(21)9-7-12/h1,4-9H,2-3,10-11H2,(H,22,26).
What are the key properties of N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 402.88 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 60548698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).