2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide

C19H20N6O4 — CID 20888570

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C19H20N6O4/c1-11-18(25(28)29)12(2)24(22-11)10-17(26)20-13-6-7-15-14(9-13)19(27)23-8-4-3-5-16(23)21-15/h6-7,9H,3-5,8,10H2,1-2H3,(H,20,26)
InChIKeyAEASNVGXIHCERO-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.09
Rot. Bonds4

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide (PubChem CID 20888570) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide
PubChem CID20888570
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C19H20N6O4/c1-11-18(25(28)29)12(2)24(22-11)10-17(26)20-13-6-7-15-14(9-13)19(27)23-8-4-3-5-16(23)21-15/h6-7,9H,3-5,8,10H2,1-2H3,(H,20,26)
InChIKeyAEASNVGXIHCERO-UHFFFAOYSA-N
XLogP2.09
TPSA124.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide 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 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide (CID 20888570) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCC4)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide?
The InChIKey is AEASNVGXIHCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-11-18(25(28)29)12(2)24(22-11)10-17(26)20-13-6-7-15-14(9-13)19(27)23-8-4-3-5-16(23)21-15/h6-7,9H,3-5,8,10H2,1-2H3,(H,20,26).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide has a molecular weight of 396.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)acetamide is sourced from PubChem (CID 20888570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).