N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide

C22H26N6O — CID 140543104

IUPACN,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide
SMILESCN1CCN(Nc2ncc3cc(-c4cccc(C(=O)N(C)C)c4)ccc3n2)CC1
InChIInChI=1S/C22H26N6O/c1-26(2)21(29)18-6-4-5-16(13-18)17-7-8-20-19(14-17)15-23-22(24-20)25-28-11-9-27(3)10-12-28/h4-8,13-15H,9-12H2,1-3H3,(H,23,24,25)
InChIKeyLFAPEWSNPUSYSZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.57
Rot. Bonds4

About N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide

N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide (PubChem CID 140543104) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide
PubChem CID140543104
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide
SMILESCN1CCN(Nc2ncc3cc(-c4cccc(C(=O)N(C)C)c4)ccc3n2)CC1
InChIInChI=1S/C22H26N6O/c1-26(2)21(29)18-6-4-5-16(13-18)17-7-8-20-19(14-17)15-23-22(24-20)25-28-11-9-27(3)10-12-28/h4-8,13-15H,9-12H2,1-3H3,(H,23,24,25)
InChIKeyLFAPEWSNPUSYSZ-UHFFFAOYSA-N
XLogP2.57
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide (CID 140543104) is N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide is CN1CCN(Nc2ncc3cc(-c4cccc(C(=O)N(C)C)c4)ccc3n2)CC1.
What is the InChIKey of N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide?
The InChIKey is LFAPEWSNPUSYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26(2)21(29)18-6-4-5-16(13-18)17-7-8-20-19(14-17)15-23-22(24-20)25-28-11-9-27(3)10-12-28/h4-8,13-15H,9-12H2,1-3H3,(H,23,24,25).
What are the key properties of N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide?
N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]benzamide is sourced from PubChem (CID 140543104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).