7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine

C25H32N6O — CID 141331547

IUPAC7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine
SMILESCOc1ccc2c(Nc3ccc(N4CCN(C5CCN(C)CC5)CC4)cc3)ncnc2c1
InChIInChI=1S/C25H32N6O/c1-29-11-9-21(10-12-29)31-15-13-30(14-16-31)20-5-3-19(4-6-20)28-25-23-8-7-22(32-2)17-24(23)26-18-27-25/h3-8,17-18,21H,9-16H2,1-2H3,(H,26,27,28)
InChIKeyXMVBUHGBYUKONN-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.60
Rot. Bonds5

About 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine

7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine (PubChem CID 141331547) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine
PubChem CID141331547
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine
SMILESCOc1ccc2c(Nc3ccc(N4CCN(C5CCN(C)CC5)CC4)cc3)ncnc2c1
InChIInChI=1S/C25H32N6O/c1-29-11-9-21(10-12-29)31-15-13-30(14-16-31)20-5-3-19(4-6-20)28-25-23-8-7-22(32-2)17-24(23)26-18-27-25/h3-8,17-18,21H,9-16H2,1-2H3,(H,26,27,28)
InChIKeyXMVBUHGBYUKONN-UHFFFAOYSA-N
XLogP3.60
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine with MolForge

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Related Compounds

7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
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
N-(4-dihydroxyphosphinothioyloxyphenyl)-7-methoxyquinazolin-4-amine
CID 154673012
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-6-(4-methoxyphenyl)quinolin-4-amine
CID 68933020
N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 725428
6-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 132609713
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
2-[4-[(7-methoxyquinazolin-4-yl)amino]phenyl]ethylphosphonic acid
CID 155033674
N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]formamide
CID 169085664
N-(3,4-difluorophenyl)-2-[4-[[7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]acetamide
CID 57401362
6-iodo-N-[4-(4-methylpiperidin-1-yl)phenyl]quinazolin-4-amine
CID 23822629
2-chloro-4-[(7-methoxyquinazolin-4-yl)amino]benzonitrile
CID 175390232

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine?
The IUPAC name of 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine (CID 141331547) is 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine is COc1ccc2c(Nc3ccc(N4CCN(C5CCN(C)CC5)CC4)cc3)ncnc2c1.
What is the InChIKey of 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine?
The InChIKey is XMVBUHGBYUKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-29-11-9-21(10-12-29)31-15-13-30(14-16-31)20-5-3-19(4-6-20)28-25-23-8-7-22(32-2)17-24(23)26-18-27-25/h3-8,17-18,21H,9-16H2,1-2H3,(H,26,27,28).
What are the key properties of 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine?
7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine has a molecular weight of 432.57 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 141331547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).