2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C26H26N4O2 — CID 178187815

IUPAC2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(N2NC3c4cc(C(=O)NC(C)c5ccccc5)ccc4NCC3C2=O)cc1
InChIInChI=1S/C26H26N4O2/c1-16-8-11-20(12-9-16)30-26(32)22-15-27-23-13-10-19(14-21(23)24(22)29-30)25(31)28-17(2)18-6-4-3-5-7-18/h3-14,17,22,24,27,29H,15H2,1-2H3,(H,28,31)
InChIKeyYFQIKAURNHALSU-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 178187815) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID178187815
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(N2NC3c4cc(C(=O)NC(C)c5ccccc5)ccc4NCC3C2=O)cc1
InChIInChI=1S/C26H26N4O2/c1-16-8-11-20(12-9-16)30-26(32)22-15-27-23-13-10-19(14-21(23)24(22)29-30)25(31)28-17(2)18-6-4-3-5-7-18/h3-14,17,22,24,27,29H,15H2,1-2H3,(H,28,31)
InChIKeyYFQIKAURNHALSU-UHFFFAOYSA-N
XLogP4.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 178187815) is 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is Cc1ccc(N2NC3c4cc(C(=O)NC(C)c5ccccc5)ccc4NCC3C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is YFQIKAURNHALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-16-8-11-20(12-9-16)30-26(32)22-15-27-23-13-10-19(14-21(23)24(22)29-30)25(31)28-17(2)18-6-4-3-5-7-18/h3-14,17,22,24,27,29H,15H2,1-2H3,(H,28,31).
What are the key properties of 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-oxo-N-(1-phenylethyl)-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 178187815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).