N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide

C23H21N5O — CID 3233549

IUPACN,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N5O/c1-28(2)23(29)18-11-9-17(10-12-18)21-26-20-8-4-3-7-19(20)22(27-21)25-15-16-6-5-13-24-14-16/h3-14H,15H2,1-2H3,(H,25,26,27)
InChIKeyZYFRABZQNQSBDX-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.01
Rot. Bonds5

About N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide

N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide (PubChem CID 3233549) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
PubChem CID3233549
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1
InChIInChI=1S/C23H21N5O/c1-28(2)23(29)18-11-9-17(10-12-18)21-26-20-8-4-3-7-19(20)22(27-21)25-15-16-6-5-13-24-14-16/h3-14H,15H2,1-2H3,(H,25,26,27)
InChIKeyZYFRABZQNQSBDX-UHFFFAOYSA-N
XLogP4.01
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide (CID 3233549) is N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide is CN(C)C(=O)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide?
The InChIKey is ZYFRABZQNQSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-28(2)23(29)18-11-9-17(10-12-18)21-26-20-8-4-3-7-19(20)22(27-21)25-15-16-6-5-13-24-14-16/h3-14H,15H2,1-2H3,(H,25,26,27).
What are the key properties of N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide?
N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide has a molecular weight of 383.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzamide is sourced from PubChem (CID 3233549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).