5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine

C21H25N5O2 — CID 162646712

IUPAC5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
SMILESCOc1c(Nc2ccc(N3CCN(C)CC3)cc2)cc(OC)c2ncncc12
InChIInChI=1S/C21H25N5O2/c1-25-8-10-26(11-9-25)16-6-4-15(5-7-16)24-18-12-19(27-2)20-17(21(18)28-3)13-22-14-23-20/h4-7,12-14,24H,8-11H2,1-3H3
InChIKeyGXWYGOIBSWXWPY-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.14
Rot. Bonds5

About 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine

5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine (PubChem CID 162646712) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine.

Molecular Properties

Compound Name5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
PubChem CID162646712
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
SMILESCOc1c(Nc2ccc(N3CCN(C)CC3)cc2)cc(OC)c2ncncc12
InChIInChI=1S/C21H25N5O2/c1-25-8-10-26(11-9-25)16-6-4-15(5-7-16)24-18-12-19(27-2)20-17(21(18)28-3)13-22-14-23-20/h4-7,12-14,24H,8-11H2,1-3H3
InChIKeyGXWYGOIBSWXWPY-UHFFFAOYSA-N
XLogP3.14
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 147850678
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 127048451
5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
CID 24987521
1-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidin-2-one
CID 163387115
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carbonitrile
CID 70498427
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264
2-N-(2,6-dichloro-3,5-dimethoxyphenyl)-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-b]pyrazine-2,6-diamine
CID 175708215
2-methyl-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-6-carboxylic acid
CID 7138021
7-[[(3aS,6R,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
CID 58013797
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501362

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine?
The IUPAC name of 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine (CID 162646712) is 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine.
What is the SMILES notation for 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine?
The canonical SMILES for 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine is COc1c(Nc2ccc(N3CCN(C)CC3)cc2)cc(OC)c2ncncc12.
What is the InChIKey of 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine?
The InChIKey is GXWYGOIBSWXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25-8-10-26(11-9-25)16-6-4-15(5-7-16)24-18-12-19(27-2)20-17(21(18)28-3)13-22-14-23-20/h4-7,12-14,24H,8-11H2,1-3H3.
What are the key properties of 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine?
5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine has a molecular weight of 379.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine is sourced from PubChem (CID 162646712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).