N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C18H16N4O3 — CID 135410446

IUPACN-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccco4)ncc3c2c1
InChIInChI=1S/C18H16N4O3/c1-11-4-5-15-13(7-11)14-9-20-22(18(24)17(14)21-15)10-16(23)19-8-12-3-2-6-25-12/h2-7,9,21H,8,10H2,1H3,(H,19,23)
InChIKeyFCMHHJSVWHZXQP-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.10
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135410446) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135410446
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccco4)ncc3c2c1
InChIInChI=1S/C18H16N4O3/c1-11-4-5-15-13(7-11)14-9-20-22(18(24)17(14)21-15)10-16(23)19-8-12-3-2-6-25-12/h2-7,9,21H,8,10H2,1H3,(H,19,23)
InChIKeyFCMHHJSVWHZXQP-UHFFFAOYSA-N
XLogP2.10
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135410446) is N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is Cc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccco4)ncc3c2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is FCMHHJSVWHZXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-4-5-15-13(7-11)14-9-20-22(18(24)17(14)21-15)10-16(23)19-8-12-3-2-6-25-12/h2-7,9,21H,8,10H2,1H3,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 336.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135410446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).