3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C25H25N7O — CID 133285501

IUPAC3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCNc1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H25N7O/c33-22(31-15-17-32(18-16-31)25-27-12-6-13-28-25)11-14-26-24-20-9-4-5-10-21(20)29-23(30-24)19-7-2-1-3-8-19/h1-10,12-13H,11,14-18H2,(H,26,29,30)
InChIKeyMPIVJVMOOZCKHG-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.24
Rot. Bonds6

About 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 133285501) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID133285501
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCNc1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H25N7O/c33-22(31-15-17-32(18-16-31)25-27-12-6-13-28-25)11-14-26-24-20-9-4-5-10-21(20)29-23(30-24)19-7-2-1-3-8-19/h1-10,12-13H,11,14-18H2,(H,26,29,30)
InChIKeyMPIVJVMOOZCKHG-UHFFFAOYSA-N
XLogP3.24
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

4-[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]quinoline-3-carbonitrile
CID 133354904
3-(2-chloroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030439
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
3-(4-methoxyanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030451
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133359579
3-(3-fluoroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030474
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
3-(4-propan-2-ylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030431
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 133285473

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 133285501) is 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCNc1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is MPIVJVMOOZCKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c33-22(31-15-17-32(18-16-31)25-27-12-6-13-28-25)11-14-26-24-20-9-4-5-10-21(20)29-23(30-24)19-7-2-1-3-8-19/h1-10,12-13H,11,14-18H2,(H,26,29,30).
What are the key properties of 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 439.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylquinazolin-4-yl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 133285501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).