4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

C25H24N6O2 — CID 66763393

IUPAC4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
InChIInChI=1S/C25H24N6O2/c1-31(2)19-11-9-17(10-12-19)25(33)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)32)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)
InChIKeyOVECHGPXFIKXEK-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.66
Rot. Bonds7

About 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763393) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763393
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
InChIInChI=1S/C25H24N6O2/c1-31(2)19-11-9-17(10-12-19)25(33)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)32)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)
InChIKeyOVECHGPXFIKXEK-UHFFFAOYSA-N
XLogP3.66
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide 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-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide (CID 66763393) is 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is CN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1.
What is the InChIKey of 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is OVECHGPXFIKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-31(2)19-11-9-17(10-12-19)25(33)30-18-6-3-5-16(13-18)14-27-24-21-8-4-7-20(23(26)32)22(21)28-15-29-24/h3-13,15H,14H2,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29).
What are the key properties of 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[4-(dimethylamino)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).