8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide

C16H14N6O — CID 46223564

IUPAC8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESNC(=O)c1[nH]nc2c1CCc1cnc(Nc3ccccc3)nc1-2
InChIInChI=1S/C16H14N6O/c17-15(23)14-11-7-6-9-8-18-16(19-10-4-2-1-3-5-10)20-12(9)13(11)21-22-14/h1-5,8H,6-7H2,(H2,17,23)(H,21,22)(H,18,19,20)
InChIKeyZYQXOZKYXADECC-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.81
Rot. Bonds3

About 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide

8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PubChem CID 46223564) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide
PubChem CID46223564
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide
SMILESNC(=O)c1[nH]nc2c1CCc1cnc(Nc3ccccc3)nc1-2
InChIInChI=1S/C16H14N6O/c17-15(23)14-11-7-6-9-8-18-16(19-10-4-2-1-3-5-10)20-12(9)13(11)21-22-14/h1-5,8H,6-7H2,(H2,17,23)(H,21,22)(H,18,19,20)
InChIKeyZYQXOZKYXADECC-UHFFFAOYSA-N
XLogP1.81
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The IUPAC name of 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide (CID 46223564) is 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide is NC(=O)c1[nH]nc2c1CCc1cnc(Nc3ccccc3)nc1-2.
What is the InChIKey of 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
The InChIKey is ZYQXOZKYXADECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-15(23)14-11-7-6-9-8-18-16(19-10-4-2-1-3-5-10)20-12(9)13(11)21-22-14/h1-5,8H,6-7H2,(H2,17,23)(H,21,22)(H,18,19,20).
What are the key properties of 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide?
8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-4,5-dihydro-2H-pyrazolo[4,3-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46223564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).