N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide

C24H24N6O — CID 71584544

IUPACN-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C24H24N6O/c1-30(2)14-13-26-23(31)18-3-6-21(7-4-18)28-24-27-16-20-15-19(5-8-22(20)29-24)17-9-11-25-12-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyJSQFSGVDRQVIPG-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.73
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide

N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide (PubChem CID 71584544) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
PubChem CID71584544
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
SMILESCN(C)CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
InChIInChI=1S/C24H24N6O/c1-30(2)14-13-26-23(31)18-3-6-21(7-4-18)28-24-27-16-20-15-19(5-8-22(20)29-24)17-9-11-25-12-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyJSQFSGVDRQVIPG-UHFFFAOYSA-N
XLogP3.73
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide (CID 71584544) is N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide is CN(C)CCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The InChIKey is JSQFSGVDRQVIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-30(2)14-13-26-23(31)18-3-6-21(7-4-18)28-24-27-16-20-15-19(5-8-22(20)29-24)17-9-11-25-12-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,31)(H,27,28,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide has a molecular weight of 412.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 71584544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).