3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide

C24H27ClN6O — CID 90237183

IUPAC3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide
SMILESCN(C)c1ccc2nc(C3CC3)nc(N3CCN(c4ccc(C(N)=O)cc4Cl)CC3)c2c1
InChIInChI=1S/C24H27ClN6O/c1-29(2)17-6-7-20-18(14-17)24(28-23(27-20)15-3-4-15)31-11-9-30(10-12-31)21-8-5-16(22(26)32)13-19(21)25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,26,32)
InChIKeyBHQRUBIYKLQCAH-UHFFFAOYSA-N
MW450.97 g/mol
LogP3.65
Rot. Bonds5

About 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide

3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide (PubChem CID 90237183) has the molecular formula C24H27ClN6O and a molecular weight of 450.97 g/mol. Its IUPAC name is 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide
PubChem CID90237183
Molecular FormulaC24H27ClN6O
Molecular Weight450.97 g/mol
Exact Mass450.19
IUPAC Name3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide
SMILESCN(C)c1ccc2nc(C3CC3)nc(N3CCN(c4ccc(C(N)=O)cc4Cl)CC3)c2c1
InChIInChI=1S/C24H27ClN6O/c1-29(2)17-6-7-20-18(14-17)24(28-23(27-20)15-3-4-15)31-11-9-30(10-12-31)21-8-5-16(22(26)32)13-19(21)25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,26,32)
InChIKeyBHQRUBIYKLQCAH-UHFFFAOYSA-N
XLogP3.65
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide 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 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide?
The IUPAC name of 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide (CID 90237183) is 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide?
The canonical SMILES for 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide is CN(C)c1ccc2nc(C3CC3)nc(N3CCN(c4ccc(C(N)=O)cc4Cl)CC3)c2c1.
What is the InChIKey of 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide?
The InChIKey is BHQRUBIYKLQCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O/c1-29(2)17-6-7-20-18(14-17)24(28-23(27-20)15-3-4-15)31-11-9-30(10-12-31)21-8-5-16(22(26)32)13-19(21)25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H2,26,32).
What are the key properties of 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide?
3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide has a molecular weight of 450.97 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-[2-cyclopropyl-6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 90237183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).