4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide

C17H17N5O — CID 50944573

IUPAC4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide
SMILESCN(C)c1nc(Nc2ccc(C(N)=O)cc2)nc2ccccc12
InChIInChI=1S/C17H17N5O/c1-22(2)16-13-5-3-4-6-14(13)20-17(21-16)19-12-9-7-11(8-10-12)15(18)23/h3-10H,1-2H3,(H2,18,23)(H,19,20,21)
InChIKeyNYIJCOLMAZPBOM-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.54
Rot. Bonds4

About 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide

4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide (PubChem CID 50944573) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide
PubChem CID50944573
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide
SMILESCN(C)c1nc(Nc2ccc(C(N)=O)cc2)nc2ccccc12
InChIInChI=1S/C17H17N5O/c1-22(2)16-13-5-3-4-6-14(13)20-17(21-16)19-12-9-7-11(8-10-12)15(18)23/h3-10H,1-2H3,(H2,18,23)(H,19,20,21)
InChIKeyNYIJCOLMAZPBOM-UHFFFAOYSA-N
XLogP2.54
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide (CID 50944573) is 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide is CN(C)c1nc(Nc2ccc(C(N)=O)cc2)nc2ccccc12.
What is the InChIKey of 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide?
The InChIKey is NYIJCOLMAZPBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-22(2)16-13-5-3-4-6-14(13)20-17(21-16)19-12-9-7-11(8-10-12)15(18)23/h3-10H,1-2H3,(H2,18,23)(H,19,20,21).
What are the key properties of 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide?
4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 50944573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).