1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one

C26H33N5O — CID 42809522

IUPAC1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one
SMILESCCCN(CCC(=O)N1CCN(CC)CC1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H33N5O/c1-3-15-31(16-14-24(32)30-19-17-29(4-2)18-20-30)26-22-12-8-9-13-23(22)27-25(28-26)21-10-6-5-7-11-21/h5-13H,3-4,14-20H2,1-2H3
InChIKeyNXBSKSKKSFRVHG-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.07
Rot. Bonds8

About 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one

1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one (PubChem CID 42809522) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one
PubChem CID42809522
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one
SMILESCCCN(CCC(=O)N1CCN(CC)CC1)c1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H33N5O/c1-3-15-31(16-14-24(32)30-19-17-29(4-2)18-20-30)26-22-12-8-9-13-23(22)27-25(28-26)21-10-6-5-7-11-21/h5-13H,3-4,14-20H2,1-2H3
InChIKeyNXBSKSKKSFRVHG-UHFFFAOYSA-N
XLogP4.07
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one with MolForge

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Related Compounds

3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 46133920
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propan-1-one
CID 42809633
3-[[2-(2-chlorophenyl)quinazolin-4-yl]-(2-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83288989
1-(4-ethylpiperazin-1-yl)-4-(4-phenylphenyl)butane-1,4-dione
CID 71102379
N-benzyl-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 83281785
3-[(2-cyclopropylquinazolin-4-yl)-propylamino]propanoic acid
CID 42809423
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]propanoic acid
CID 42809427
N-[(2R)-butan-2-yl]-3-[[2-(2-chlorophenyl)quinazolin-4-yl]-propylamino]propanamide
CID 93140373
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962
N-[(1R)-1-phenylethyl]-3-[propyl-(2-thiophen-2-ylquinazolin-4-yl)amino]propanamide
CID 93300017

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one (CID 42809522) is 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one is CCCN(CCC(=O)N1CCN(CC)CC1)c1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one?
The InChIKey is NXBSKSKKSFRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-3-15-31(16-14-24(32)30-19-17-29(4-2)18-20-30)26-22-12-8-9-13-23(22)27-25(28-26)21-10-6-5-7-11-21/h5-13H,3-4,14-20H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one has a molecular weight of 431.58 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-[(2-phenylquinazolin-4-yl)-propylamino]propan-1-one is sourced from PubChem (CID 42809522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).