N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide

C20H13N5OS — CID 44570108

IUPACN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cscn1
InChIInChI=1S/C20H13N5OS/c26-20(17-11-27-12-21-17)23-19-18-15(14-8-4-5-9-16(14)22-19)10-25(24-18)13-6-2-1-3-7-13/h1-12H,(H,22,23,26)
InChIKeyDQJOHKHTPLSPAB-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.28
Rot. Bonds3

About N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide

N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 44570108) has the molecular formula C20H13N5OS and a molecular weight of 371.43 g/mol. Its IUPAC name is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID44570108
Molecular FormulaC20H13N5OS
Molecular Weight371.43 g/mol
Exact Mass371.08
IUPAC NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cscn1
InChIInChI=1S/C20H13N5OS/c26-20(17-11-27-12-21-17)23-19-18-15(14-8-4-5-9-16(14)22-19)10-25(24-18)13-6-2-1-3-7-13/h1-12H,(H,22,23,26)
InChIKeyDQJOHKHTPLSPAB-UHFFFAOYSA-N
XLogP4.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide (CID 44570108) is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cscn1.
What is the InChIKey of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DQJOHKHTPLSPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS/c26-20(17-11-27-12-21-17)23-19-18-15(14-8-4-5-9-16(14)22-19)10-25(24-18)13-6-2-1-3-7-13/h1-12H,(H,22,23,26).
What are the key properties of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide?
N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44570108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).