4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide

C24H25ClN4O2 — CID 70687344

IUPAC4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(/C=C2\CCCn3c2nc2cc(Cl)ccc2c3=O)cc1
InChIInChI=1S/C24H25ClN4O2/c1-28(2)13-11-26-23(30)17-7-5-16(6-8-17)14-18-4-3-12-29-22(18)27-21-15-19(25)9-10-20(21)24(29)31/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)/b18-14+
InChIKeyJHZXMBYVFUBTGO-NBVRZTHBSA-N
MW436.94 g/mol
LogP3.68
Rot. Bonds5

About 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide

4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 70687344) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID70687344
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(/C=C2\CCCn3c2nc2cc(Cl)ccc2c3=O)cc1
InChIInChI=1S/C24H25ClN4O2/c1-28(2)13-11-26-23(30)17-7-5-16(6-8-17)14-18-4-3-12-29-22(18)27-21-15-19(25)9-10-20(21)24(29)31/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)/b18-14+
InChIKeyJHZXMBYVFUBTGO-NBVRZTHBSA-N
XLogP3.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]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 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 70687344) is 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1ccc(/C=C2\CCCn3c2nc2cc(Cl)ccc2c3=O)cc1.
What is the InChIKey of 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is JHZXMBYVFUBTGO-NBVRZTHBSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-28(2)13-11-26-23(30)17-7-5-16(6-8-17)14-18-4-3-12-29-22(18)27-21-15-19(25)9-10-20(21)24(29)31/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)/b18-14+.
What are the key properties of 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide?
4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 436.94 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(3-chloro-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-6-ylidene)methyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 70687344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).