4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one

C20H15ClN4O — CID 171104326

IUPAC4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one
SMILESCC1(C)c2cc(-c3cn[nH]c3)ccc2-n2c1nc(=O)c1c(Cl)cccc12
InChIInChI=1S/C20H15ClN4O/c1-20(2)13-8-11(12-9-22-23-10-12)6-7-15(13)25-16-5-3-4-14(21)17(16)18(26)24-19(20)25/h3-10H,1-2H3,(H,22,23)
InChIKeyKTGZGOLDTJJIBD-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.07
Rot. Bonds1

About 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one

4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one (PubChem CID 171104326) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one
PubChem CID171104326
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one
SMILESCC1(C)c2cc(-c3cn[nH]c3)ccc2-n2c1nc(=O)c1c(Cl)cccc12
InChIInChI=1S/C20H15ClN4O/c1-20(2)13-8-11(12-9-22-23-10-12)6-7-15(13)25-16-5-3-4-14(21)17(16)18(26)24-19(20)25/h3-10H,1-2H3,(H,22,23)
InChIKeyKTGZGOLDTJJIBD-UHFFFAOYSA-N
XLogP4.07
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one?
The IUPAC name of 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one (CID 171104326) is 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one is CC1(C)c2cc(-c3cn[nH]c3)ccc2-n2c1nc(=O)c1c(Cl)cccc12.
What is the InChIKey of 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one?
The InChIKey is KTGZGOLDTJJIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-20(2)13-8-11(12-9-22-23-10-12)6-7-15(13)25-16-5-3-4-14(21)17(16)18(26)24-19(20)25/h3-10H,1-2H3,(H,22,23).
What are the key properties of 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one?
4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one has a molecular weight of 362.82 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7,7-dimethyl-9-(1H-pyrazol-4-yl)indolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 171104326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).