N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide

C24H32N6O — CID 21004036

IUPACN-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2nc(CN(C)C)nc3ccccc23)cc1
InChIInChI=1S/C24H32N6O/c1-5-30(6-2)16-15-25-24(31)18-11-13-19(14-12-18)26-23-20-9-7-8-10-21(20)27-22(28-23)17-29(3)4/h7-14H,5-6,15-17H2,1-4H3,(H,25,31)(H,26,27,28)
InChIKeyXOJOWTPXOKJOPU-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.51
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide

N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide (PubChem CID 21004036) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide
PubChem CID21004036
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2nc(CN(C)C)nc3ccccc23)cc1
InChIInChI=1S/C24H32N6O/c1-5-30(6-2)16-15-25-24(31)18-11-13-19(14-12-18)26-23-20-9-7-8-10-21(20)27-22(28-23)17-29(3)4/h7-14H,5-6,15-17H2,1-4H3,(H,25,31)(H,26,27,28)
InChIKeyXOJOWTPXOKJOPU-UHFFFAOYSA-N
XLogP3.51
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]benzoic acid;hydrochloride
CID 20982609
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
2-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]propanoic acid
CID 21003994
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 134276602
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831
3-anilino-N-[2-(diethylamino)ethyl]-4-oxoquinazoline-2-carboxamide
CID 165388803

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide (CID 21004036) is N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide is CCN(CC)CCNC(=O)c1ccc(Nc2nc(CN(C)C)nc3ccccc23)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide?
The InChIKey is XOJOWTPXOKJOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-5-30(6-2)16-15-25-24(31)18-11-13-19(14-12-18)26-23-20-9-7-8-10-21(20)27-22(28-23)17-29(3)4/h7-14H,5-6,15-17H2,1-4H3,(H,25,31)(H,26,27,28).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[2-[(dimethylamino)methyl]quinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 21004036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).