9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide

C25H24N4O2 — CID 135656673

IUPAC9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)C3c2ccccc2C)c1
InChIInChI=1S/C25H24N4O2/c1-15-7-5-9-17(13-15)27-25(31)19-14-26-29-23(18-10-4-3-8-16(18)2)22-20(28-24(19)29)11-6-12-21(22)30/h3-5,7-10,13-14,23,28H,6,11-12H2,1-2H3,(H,27,31)
InChIKeySANWGIFLVONUFS-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.77
Rot. Bonds3

About 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide

9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide (PubChem CID 135656673) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound Name9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
PubChem CID135656673
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)C3c2ccccc2C)c1
InChIInChI=1S/C25H24N4O2/c1-15-7-5-9-17(13-15)27-25(31)19-14-26-29-23(18-10-4-3-8-16(18)2)22-20(28-24(19)29)11-6-12-21(22)30/h3-5,7-10,13-14,23,28H,6,11-12H2,1-2H3,(H,27,31)
InChIKeySANWGIFLVONUFS-UHFFFAOYSA-N
XLogP4.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The IUPAC name of 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide (CID 135656673) is 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The canonical SMILES for 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide is Cc1cccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)C3c2ccccc2C)c1.
What is the InChIKey of 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
The InChIKey is SANWGIFLVONUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-15-7-5-9-17(13-15)27-25(31)19-14-26-29-23(18-10-4-3-8-16(18)2)22-20(28-24(19)29)11-6-12-21(22)30/h3-5,7-10,13-14,23,28H,6,11-12H2,1-2H3,(H,27,31).
What are the key properties of 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide?
9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylphenyl)-N-(3-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 135656673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).