8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride

C20H18ClN5O2S — CID 18372614

IUPAC8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H17N5O2S.ClH/c26-17-15(9-8-14-7-4-11-21-16(14)17)18(27)23-20-25-24-19(28-20)22-12-10-13-5-2-1-3-6-13;/h1-9,11,26H,10,12H2,(H,22,24)(H,23,25,27);1H
InChIKeyONHXDVXKJHFQDE-UHFFFAOYSA-N
MW427.92 g/mol
LogP4.12
Rot. Bonds6

About 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride

8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride (PubChem CID 18372614) has the molecular formula C20H18ClN5O2S and a molecular weight of 427.92 g/mol. Its IUPAC name is 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride
PubChem CID18372614
Molecular FormulaC20H18ClN5O2S
Molecular Weight427.92 g/mol
Exact Mass427.09
IUPAC Name8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H17N5O2S.ClH/c26-17-15(9-8-14-7-4-11-21-16(14)17)18(27)23-20-25-24-19(28-20)22-12-10-13-5-2-1-3-6-13;/h1-9,11,26H,10,12H2,(H,22,24)(H,23,25,27);1H
InChIKeyONHXDVXKJHFQDE-UHFFFAOYSA-N
XLogP4.12
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.92
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride?
The IUPAC name of 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride (CID 18372614) is 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride.
What is the SMILES notation for 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride?
The canonical SMILES for 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride is Cl.O=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc2cccnc2c1O.
What is the InChIKey of 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride?
The InChIKey is ONHXDVXKJHFQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S.ClH/c26-17-15(9-8-14-7-4-11-21-16(14)17)18(27)23-20-25-24-19(28-20)22-12-10-13-5-2-1-3-6-13;/h1-9,11,26H,10,12H2,(H,22,24)(H,23,25,27);1H.
What are the key properties of 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride?
8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride has a molecular weight of 427.92 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide;hydrochloride is sourced from PubChem (CID 18372614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).