4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile

C23H20N4O — CID 137265180

IUPAC4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3nn1C2c1ccc(C#N)cc1
InChIInChI=1S/C23H20N4O/c1-23(2)11-18-20(19(28)12-23)21(15-9-7-14(13-24)8-10-15)27-22(25-18)16-5-3-4-6-17(16)26-27/h3-10,21,25H,11-12H2,1-2H3
InChIKeyDKVQNWIGYCAAIF-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.57
Rot. Bonds1

About 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile

4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile (PubChem CID 137265180) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile.

Molecular Properties

Compound Name4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile
PubChem CID137265180
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3nn1C2c1ccc(C#N)cc1
InChIInChI=1S/C23H20N4O/c1-23(2)11-18-20(19(28)12-23)21(15-9-7-14(13-24)8-10-15)27-22(25-18)16-5-3-4-6-17(16)26-27/h3-10,21,25H,11-12H2,1-2H3
InChIKeyDKVQNWIGYCAAIF-UHFFFAOYSA-N
XLogP4.57
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile with MolForge

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Related Compounds

7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one
CID 137265181
6,6-dimethyl-8-oxo-9-phenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 135658351
4-(5-benzoyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)benzonitrile
CID 3830047
9-(4-hydroxyphenyl)-6,6-dimethyl-2-naphthalen-1-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135779378
4-[(5S)-1,3,8,8-tetramethyl-2,4,6-trioxo-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-5-yl]benzonitrile
CID 7172507
9-(3-hydroxyphenyl)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 135658732
6,6-dimethyl-8-oxo-9-phenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135658721
(12S)-12-(4-methoxyphenyl)-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 51459840
6,6-dimethyl-9-(4-nitrophenyl)-2-phenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazolin-8-one
CID 135929078
(9R)-9-(4-hydroxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 693599
(9R)-6,6-dimethyl-9-quinolin-4-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135914340
2-(2-fluorophenyl)-6,6-dimethyl-9-phenyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135704187

Frequently Asked Questions

What is the IUPAC name of 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile?
The IUPAC name of 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile (CID 137265180) is 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile.
What is the SMILES notation for 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile?
The canonical SMILES for 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile is CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3nn1C2c1ccc(C#N)cc1.
What is the InChIKey of 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile?
The InChIKey is DKVQNWIGYCAAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-23(2)11-18-20(19(28)12-23)21(15-9-7-14(13-24)8-10-15)27-22(25-18)16-5-3-4-6-17(16)26-27/h3-10,21,25H,11-12H2,1-2H3.
What are the key properties of 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile?
4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile has a molecular weight of 368.44 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile is sourced from PubChem (CID 137265180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).