2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol

C22H20N4O — CID 13346996

IUPAC2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol
SMILESOCCNc1nc(N(c2ccccc2)c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H20N4O/c27-16-15-23-21-19-13-7-8-14-20(19)24-22(25-21)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,27H,15-16H2,(H,23,24,25)
InChIKeyRNIAENMDKSIEEG-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.50
Rot. Bonds6

About 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol

2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol (PubChem CID 13346996) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol
PubChem CID13346996
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol
SMILESOCCNc1nc(N(c2ccccc2)c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H20N4O/c27-16-15-23-21-19-13-7-8-14-20(19)24-22(25-21)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,27H,15-16H2,(H,23,24,25)
InChIKeyRNIAENMDKSIEEG-UHFFFAOYSA-N
XLogP4.50
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
4-(6-hydroxyhexylamino)quinazoline-2-carboxylic acid
CID 107853406
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113
2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
CID 171987692
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol
CID 21491344
2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
CID 50944549
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
4-(2-butoxyethylamino)quinazoline-2-carboxylic acid
CID 63867859

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol (CID 13346996) is 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol is OCCNc1nc(N(c2ccccc2)c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol?
The InChIKey is RNIAENMDKSIEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-16-15-23-21-19-13-7-8-14-20(19)24-22(25-21)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,27H,15-16H2,(H,23,24,25).
What are the key properties of 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol?
2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol has a molecular weight of 356.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-phenylanilino)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 13346996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).