N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C22H14Cl2FN5O2 — CID 134178261

IUPACN-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccc2[nH]cc(Cl)c2c1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/C22H14Cl2FN5O2/c23-14-7-13-5-11(1-3-16(13)26-9-14)6-18-29-30-22(32-18)21(31)28-8-12-2-4-17-19(20(12)25)15(24)10-27-17/h1-5,7,9-10,27H,6,8H2,(H,28,31)
InChIKeySZCHJWPFNIABFS-UHFFFAOYSA-N
MW470.29 g/mol
LogP5.07
Rot. Bonds5

About N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 134178261) has the molecular formula C22H14Cl2FN5O2 and a molecular weight of 470.29 g/mol. Its IUPAC name is N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID134178261
Molecular FormulaC22H14Cl2FN5O2
Molecular Weight470.29 g/mol
Exact Mass469.05
IUPAC NameN-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NCc1ccc2[nH]cc(Cl)c2c1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/C22H14Cl2FN5O2/c23-14-7-13-5-11(1-3-16(13)26-9-14)6-18-29-30-22(32-18)21(31)28-8-12-2-4-17-19(20(12)25)15(24)10-27-17/h1-5,7,9-10,27H,6,8H2,(H,28,31)
InChIKeySZCHJWPFNIABFS-UHFFFAOYSA-N
XLogP5.07
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.29
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 134178261) is N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccc2[nH]cc(Cl)c2c1F)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.
What is the InChIKey of N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is SZCHJWPFNIABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN5O2/c23-14-7-13-5-11(1-3-16(13)26-9-14)6-18-29-30-22(32-18)21(31)28-8-12-2-4-17-19(20(12)25)15(24)10-27-17/h1-5,7,9-10,27H,6,8H2,(H,28,31).
What are the key properties of N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 470.29 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 134178261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).