8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C13H14IN5O — CID 130197385

IUPAC8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CCc1cnc(I)nc1-2
InChIInChI=1S/C13H14IN5O/c1-18(2)12(20)10-8-5-4-7-6-15-13(14)16-9(7)11(8)19(3)17-10/h6H,4-5H2,1-3H3
InChIKeyRGVZETOUOYBCOK-UHFFFAOYSA-N
MW383.19 g/mol
LogP1.28
Rot. Bonds1

About 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 130197385) has the molecular formula C13H14IN5O and a molecular weight of 383.19 g/mol. Its IUPAC name is 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID130197385
Molecular FormulaC13H14IN5O
Molecular Weight383.19 g/mol
Exact Mass383.02
IUPAC Name8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CCc1cnc(I)nc1-2
InChIInChI=1S/C13H14IN5O/c1-18(2)12(20)10-8-5-4-7-6-15-13(14)16-9(7)11(8)19(3)17-10/h6H,4-5H2,1-3H3
InChIKeyRGVZETOUOYBCOK-UHFFFAOYSA-N
XLogP1.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 130197385) is 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1CCc1cnc(I)nc1-2.
What is the InChIKey of 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is RGVZETOUOYBCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN5O/c1-18(2)12(20)10-8-5-4-7-6-15-13(14)16-9(7)11(8)19(3)17-10/h6H,4-5H2,1-3H3.
What are the key properties of 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 383.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-N,N,1-trimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 130197385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).