6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide

C17H9Cl3N4O2 — CID 135382502

IUPAC6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]n2c(=O)c3ccc(Cl)cc3nc12
InChIInChI=1S/C17H9Cl3N4O2/c18-7-1-3-9(11(20)5-7)14-13(15(21)25)16-22-12-6-8(19)2-4-10(12)17(26)24(16)23-14/h1-6,23H,(H2,21,25)
InChIKeyFGKLGPFDCPAFCA-UHFFFAOYSA-N
MW407.64 g/mol
LogP3.90
Rot. Bonds2

About 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide

6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 135382502) has the molecular formula C17H9Cl3N4O2 and a molecular weight of 407.64 g/mol. Its IUPAC name is 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID135382502
Molecular FormulaC17H9Cl3N4O2
Molecular Weight407.64 g/mol
Exact Mass405.98
IUPAC Name6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]n2c(=O)c3ccc(Cl)cc3nc12
InChIInChI=1S/C17H9Cl3N4O2/c18-7-1-3-9(11(20)5-7)14-13(15(21)25)16-22-12-6-8(19)2-4-10(12)17(26)24(16)23-14/h1-6,23H,(H2,21,25)
InChIKeyFGKLGPFDCPAFCA-UHFFFAOYSA-N
XLogP3.90
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.64
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide (CID 135382502) is 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide is NC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]n2c(=O)c3ccc(Cl)cc3nc12.
What is the InChIKey of 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is FGKLGPFDCPAFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3N4O2/c18-7-1-3-9(11(20)5-7)14-13(15(21)25)16-22-12-6-8(19)2-4-10(12)17(26)24(16)23-14/h1-6,23H,(H2,21,25).
What are the key properties of 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 407.64 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,4-dichlorophenyl)-9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 135382502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).