1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone

C26H25N3O2S — CID 3289367

IUPAC1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CSc1nc(NCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C26H25N3O2S/c1-18(30)20-12-13-24(31-2)21(16-20)17-32-26-28-23-11-7-6-10-22(23)25(29-26)27-15-14-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,28,29)
InChIKeyQJJSXDJTCPRHFU-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.79
Rot. Bonds9

About 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone

1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone (PubChem CID 3289367) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone
PubChem CID3289367
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CSc1nc(NCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C26H25N3O2S/c1-18(30)20-12-13-24(31-2)21(16-20)17-32-26-28-23-11-7-6-10-22(23)25(29-26)27-15-14-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,28,29)
InChIKeyQJJSXDJTCPRHFU-UHFFFAOYSA-N
XLogP5.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone 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

1-(4-Methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
CID 1442664
1-[4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenyl]ethanone
CID 53317912
1-[3-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenyl]ethanone
CID 53321839
4-[[3-(Dimethylamino)-1-[3-[(4-methoxybenzoyl)amino]phenyl]propyl]amino]quinazoline-8-carboxamide
CID 66762542
4-[[3-[[4-Methoxy-3-(trifluoromethyl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66762835
4-[[3-[(4-Methoxybenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763499
4-methoxy-N'-[2-(2-propylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
CID 1442627
2-[(6-Methoxy-4-methylquinazolin-2-yl)sulfanyl]-1,2-diphenylethanone
CID 2931403
4-[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]-N,N-dimethylbenzamide
CID 3233030
1-[3-[[4-[(4-Chlorophenyl)methylamino]quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 4391441
N-butyl-2-((4-((4-methoxybenzyl)amino)quinazolin-2-yl)thio)-N-methylacetamide
CID 4548500
1-[3-[[4-(Benzylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 4646236

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone (CID 3289367) is 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone is COc1ccc(C(C)=O)cc1CSc1nc(NCCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone?
The InChIKey is QJJSXDJTCPRHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-18(30)20-12-13-24(31-2)21(16-20)17-32-26-28-23-11-7-6-10-22(23)25(29-26)27-15-14-19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,28,29).
What are the key properties of 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone?
1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone has a molecular weight of 443.57 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone is sourced from PubChem (CID 3289367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).