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

C25H23FN4O2 — CID 178187817

IUPACN-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(N2NC3c4cc(C(=O)NCc5ccccc5F)ccc4NCC3C2=O)cc1
InChIInChI=1S/C25H23FN4O2/c1-15-6-9-18(10-7-15)30-25(32)20-14-27-22-11-8-16(12-19(22)23(20)29-30)24(31)28-13-17-4-2-3-5-21(17)26/h2-12,20,23,27,29H,13-14H2,1H3,(H,28,31)
InChIKeyYZQWWFBBZSYMCP-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.70
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 178187817) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID178187817
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCc1ccc(N2NC3c4cc(C(=O)NCc5ccccc5F)ccc4NCC3C2=O)cc1
InChIInChI=1S/C25H23FN4O2/c1-15-6-9-18(10-7-15)30-25(32)20-14-27-22-11-8-16(12-19(22)23(20)29-30)24(31)28-13-17-4-2-3-5-21(17)26/h2-12,20,23,27,29H,13-14H2,1H3,(H,28,31)
InChIKeyYZQWWFBBZSYMCP-UHFFFAOYSA-N
XLogP3.70
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 178187817) is N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is Cc1ccc(N2NC3c4cc(C(=O)NCc5ccccc5F)ccc4NCC3C2=O)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is YZQWWFBBZSYMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-15-6-9-18(10-7-15)30-25(32)20-14-27-22-11-8-16(12-19(22)23(20)29-30)24(31)28-13-17-4-2-3-5-21(17)26/h2-12,20,23,27,29H,13-14H2,1H3,(H,28,31).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-3a,4,5,9b-tetrahydro-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 178187817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).