N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C24H25N5O2 — CID 91513865

IUPACN-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1[nH]nc2c1c(=O)n(CCCNC(=O)C1Cc3ccccc3CN1)c1ccccc21
InChIInChI=1S/C24H25N5O2/c1-15-21-22(28-27-15)18-9-4-5-10-20(18)29(24(21)31)12-6-11-25-23(30)19-13-16-7-2-3-8-17(16)14-26-19/h2-5,7-10,19,26H,6,11-14H2,1H3,(H,25,30)(H,27,28)
InChIKeyOYOJZJMBMBPILW-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.41
Rot. Bonds5

About N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 91513865) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID91513865
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1[nH]nc2c1c(=O)n(CCCNC(=O)C1Cc3ccccc3CN1)c1ccccc21
InChIInChI=1S/C24H25N5O2/c1-15-21-22(28-27-15)18-9-4-5-10-20(18)29(24(21)31)12-6-11-25-23(30)19-13-16-7-2-3-8-17(16)14-26-19/h2-5,7-10,19,26H,6,11-14H2,1H3,(H,25,30)(H,27,28)
InChIKeyOYOJZJMBMBPILW-UHFFFAOYSA-N
XLogP2.41
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 91513865) is N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C1Cc3ccccc3CN1)c1ccccc21.
What is the InChIKey of N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is OYOJZJMBMBPILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-21-22(28-27-15)18-9-4-5-10-20(18)29(24(21)31)12-6-11-25-23(30)19-13-16-7-2-3-8-17(16)14-26-19/h2-5,7-10,19,26H,6,11-14H2,1H3,(H,25,30)(H,27,28).
What are the key properties of N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 91513865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).