N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine

C21H26N5O2+ — CID 2067296

IUPACN-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine
SMILESCOc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C21H25N5O2/c1-25-10-12-26(13-11-25)21-23-17-7-5-4-6-16(17)20(24-21)22-18-9-8-15(27-2)14-19(18)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,23,24)/p+1
InChIKeyMPJIOZBXWSKSNV-UHFFFAOYSA-O
MW380.47 g/mol
LogP1.73
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine

N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine (PubChem CID 2067296) has the molecular formula C21H26N5O2+ and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine
PubChem CID2067296
Molecular FormulaC21H26N5O2+
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine
SMILESCOc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C21H25N5O2/c1-25-10-12-26(13-11-25)21-23-17-7-5-4-6-16(17)20(24-21)22-18-9-8-15(27-2)14-19(18)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,23,24)/p+1
InChIKeyMPJIOZBXWSKSNV-UHFFFAOYSA-O
XLogP1.73
TPSA63.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 1290462
N-(2,4-dimethoxyphenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 4999497
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 142682247
N-(2,4-dimethoxyphenyl)-6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961212
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
2-[4-(2,4,6-trimethoxyphenyl)piperidin-1-yl]quinazolin-4-amine
CID 166190492
6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
CID 23738095
ethyl 4-[4-(4-methoxyanilino)quinazolin-2-yl]piperazine-1-carboxylate
CID 71691224

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine (CID 2067296) is N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine is COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine?
The InChIKey is MPJIOZBXWSKSNV-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N5O2/c1-25-10-12-26(13-11-25)21-23-17-7-5-4-6-16(17)20(24-21)22-18-9-8-15(27-2)14-19(18)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,23,24)/p+1.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine?
N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine has a molecular weight of 380.47 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine is sourced from PubChem (CID 2067296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).