4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide

C23H20N4O — CID 3234748

IUPAC4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H20N4O/c1-27(2)23(28)17-14-12-16(13-15-17)21-25-20-11-7-6-10-19(20)22(26-21)24-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,24,25,26)
InChIKeyQBFKXNTXAMSFNZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.74
Rot. Bonds4

About 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide

4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide (PubChem CID 3234748) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide
PubChem CID3234748
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H20N4O/c1-27(2)23(28)17-14-12-16(13-15-17)21-25-20-11-7-6-10-19(20)22(26-21)24-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,24,25,26)
InChIKeyQBFKXNTXAMSFNZ-UHFFFAOYSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide (CID 3234748) is 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide?
The InChIKey is QBFKXNTXAMSFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-27(2)23(28)17-14-12-16(13-15-17)21-25-20-11-7-6-10-19(20)22(26-21)24-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,24,25,26).
What are the key properties of 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide?
4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide has a molecular weight of 368.44 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinoquinazolin-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 3234748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).