2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

C25H32N6O — CID 11189680

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCN1CCN(c2ccc(-c3nc(NCCN4CCOCC4)c4ccccc4n3)cc2)CC1
InChIInChI=1S/C25H32N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h2-9H,10-19H2,1H3,(H,26,27,28)
InChIKeyDPBUIYRVIADVFD-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.79
Rot. Bonds6

About 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine

2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (PubChem CID 11189680) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
PubChem CID11189680
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
SMILESCN1CCN(c2ccc(-c3nc(NCCN4CCOCC4)c4ccccc4n3)cc2)CC1
InChIInChI=1S/C25H32N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h2-9H,10-19H2,1H3,(H,26,27,28)
InChIKeyDPBUIYRVIADVFD-UHFFFAOYSA-N
XLogP2.79
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gdc-0349
CID 59239165
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
CID 2971918
CID 2971918
4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
CID 805487
(3,5-Dimethyl-adamantan-1-yl)-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 3304180
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
1-(2-(Diethylamino)quinazolin-4-yl)-3-phenylurea
CID 10640536
3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 11624425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine (CID 11189680) is 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is CN1CCN(c2ccc(-c3nc(NCCN4CCOCC4)c4ccccc4n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
The InChIKey is DPBUIYRVIADVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h2-9H,10-19H2,1H3,(H,26,27,28).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine?
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine has a molecular weight of 432.57 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 11189680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).