8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C23H20N6O — CID 11486283

IUPAC8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)
InChIKeyVRZQAXBLQMWLAF-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.97
Rot. Bonds4

About 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 11486283) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID11486283
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)
InChIKeyVRZQAXBLQMWLAF-UHFFFAOYSA-N
XLogP3.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-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

Related Compounds

N,1,4,4-Tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide
CID 16718576
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxylic acid
CID 44129603
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 22
CID 44235885
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 24
CID 44235886
n-[3-(3-{4-[(Dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24884503
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 23
CID 44232694
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 25
CID 44232695
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 27
CID 44235888
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 35
CID 44236110
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
CID 44236353
8-anilino-N-(2-hydroxyethyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 44236354
1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoethyl)phenylamino)-N-((2-methylpyridin-4-yl)methyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46911003

Frequently Asked Questions

What is the IUPAC name of 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 11486283) is 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(=O)Nc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2.
What is the InChIKey of 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is VRZQAXBLQMWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27).
What are the key properties of 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-1-methyl-N-phenyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 11486283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).