7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one

C22H20ClN3O — CID 137265181

IUPAC7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3nn1C2c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O/c1-22(2)11-17-19(18(27)12-22)20(13-7-9-14(23)10-8-13)26-21(24-17)15-5-3-4-6-16(15)25-26/h3-10,20,24H,11-12H2,1-2H3
InChIKeySJIOOHBITLXDNK-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.35
Rot. Bonds1

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

7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one (PubChem CID 137265181) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one
PubChem CID137265181
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3nn1C2c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O/c1-22(2)11-17-19(18(27)12-22)20(13-7-9-14(23)10-8-13)26-21(24-17)15-5-3-4-6-16(15)25-26/h3-10,20,24H,11-12H2,1-2H3
InChIKeySJIOOHBITLXDNK-UHFFFAOYSA-N
XLogP5.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(10,10-dimethyl-8-oxo-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-7-yl)benzonitrile
CID 137265180
(9R)-9-(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 136882399
9-(4-chlorophenyl)-6,6-dimethyl-3-phenyldiazenyl-4,5,7,9-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-2,8-dione
CID 137228732
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
6,6-dimethyl-8-oxo-9-phenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 135658351
(6R)-6-(4-chlorophenyl)-5-(cyclopropanecarbonyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1239666
6-(4-chlorophenyl)-9,9-dimethyl-5-(2-methylpropanoyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2861365
6,6-dimethyl-8-oxo-9-phenyl-4,5,7,9-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135658721
(6S)-6-(4-chlorophenyl)-9,9-dimethyl-5-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 41000549
2-(4-chlorophenyl)-6,6-dimethyl-9-pyridin-3-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135760894
(9S)-2-(2-chlorophenyl)-6,6-dimethyl-9-[4-(methylamino)phenyl]-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135933529
2-[(6S)-6-(4-chlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-N-methylacetamide
CID 41090265

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one?
The IUPAC name of 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one (CID 137265181) is 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one.
What is the SMILES notation for 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one?
The canonical SMILES for 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one is CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3nn1C2c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one?
The InChIKey is SJIOOHBITLXDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c1-22(2)11-17-19(18(27)12-22)20(13-7-9-14(23)10-8-13)26-21(24-17)15-5-3-4-6-16(15)25-26/h3-10,20,24H,11-12H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one?
7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one has a molecular weight of 377.88 g/mol, XLogP of 5.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydroindazolo[3,2-b]quinazolin-8-one is sourced from PubChem (CID 137265181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).