N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H15N5O3 — CID 110741916

IUPACN-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1c(CCNC(=O)c2ccc(=O)[nH]n2)nc2ccccc2c1=O
InChIInChI=1S/C16H15N5O3/c1-21-13(18-11-5-3-2-4-10(11)16(21)24)8-9-17-15(23)12-6-7-14(22)20-19-12/h2-7H,8-9H2,1H3,(H,17,23)(H,20,22)
InChIKeyHXJGKMZUJYTBIX-UHFFFAOYSA-N
MW325.33 g/mol
LogP-0.01
Rot. Bonds4

About N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110741916) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110741916
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCn1c(CCNC(=O)c2ccc(=O)[nH]n2)nc2ccccc2c1=O
InChIInChI=1S/C16H15N5O3/c1-21-13(18-11-5-3-2-4-10(11)16(21)24)8-9-17-15(23)12-6-7-14(22)20-19-12/h2-7H,8-9H2,1H3,(H,17,23)(H,20,22)
InChIKeyHXJGKMZUJYTBIX-UHFFFAOYSA-N
XLogP-0.01
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110741916) is N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is Cn1c(CCNC(=O)c2ccc(=O)[nH]n2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is HXJGKMZUJYTBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-21-13(18-11-5-3-2-4-10(11)16(21)24)8-9-17-15(23)12-6-7-14(22)20-19-12/h2-7H,8-9H2,1H3,(H,17,23)(H,20,22).
What are the key properties of N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 325.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110741916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).