N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide

C19H24N4O2 — CID 71911491

IUPACN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)c2ccc3c(n2)CCCC3)c1CC
InChIInChI=1S/C19H24N4O2/c1-3-13-14(18(24)23-22-15(13)4-2)11-20-19(25)17-10-9-12-7-5-6-8-16(12)21-17/h9-10H,3-8,11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyUVKXTERHTHTWNE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.10
Rot. Bonds5

About N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide

N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide (PubChem CID 71911491) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
PubChem CID71911491
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)c2ccc3c(n2)CCCC3)c1CC
InChIInChI=1S/C19H24N4O2/c1-3-13-14(18(24)23-22-15(13)4-2)11-20-19(25)17-10-9-12-7-5-6-8-16(12)21-17/h9-10H,3-8,11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyUVKXTERHTHTWNE-UHFFFAOYSA-N
XLogP2.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide (CID 71911491) is N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide is CCc1n[nH]c(=O)c(CNC(=O)c2ccc3c(n2)CCCC3)c1CC.
What is the InChIKey of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
The InChIKey is UVKXTERHTHTWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-13-14(18(24)23-22-15(13)4-2)11-20-19(25)17-10-9-12-7-5-6-8-16(12)21-17/h9-10H,3-8,11H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide?
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5,6,7,8-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 71911491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).