1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone

C24H22N4O — CID 56729195

IUPAC1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(NC(C)c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H22N4O/c1-16(18-8-4-3-5-9-18)25-23-21-10-6-7-11-22(21)27-24(28-23)26-20-14-12-19(13-15-20)17(2)29/h3-16H,1-2H3,(H2,25,26,27,28)
InChIKeyDRSLQJNFSMXGPC-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.75
Rot. Bonds6

About 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone

1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone (PubChem CID 56729195) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
PubChem CID56729195
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(NC(C)c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H22N4O/c1-16(18-8-4-3-5-9-18)25-23-21-10-6-7-11-22(21)27-24(28-23)26-20-14-12-19(13-15-20)17(2)29/h3-16H,1-2H3,(H2,25,26,27,28)
InChIKeyDRSLQJNFSMXGPC-UHFFFAOYSA-N
XLogP5.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone (CID 56729195) is 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(NC(C)c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone?
The InChIKey is DRSLQJNFSMXGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16(18-8-4-3-5-9-18)25-23-21-10-6-7-11-22(21)27-24(28-23)26-20-14-12-19(13-15-20)17(2)29/h3-16H,1-2H3,(H2,25,26,27,28).
What are the key properties of 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone has a molecular weight of 382.47 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 56729195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).