2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone

C23H19N3O3 — CID 159797660

IUPAC2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone
SMILESCN(c1ccc(Oc2ccc(C(=O)CO)cc2)cc1)c1ncnc2ccccc12
InChIInChI=1S/C23H19N3O3/c1-26(23-20-4-2-3-5-21(20)24-15-25-23)17-8-12-19(13-9-17)29-18-10-6-16(7-11-18)22(28)14-27/h2-13,15,27H,14H2,1H3
InChIKeyNJJLCOSSZQTTRC-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.36
Rot. Bonds6

About 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone

2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone (PubChem CID 159797660) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone
PubChem CID159797660
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone
SMILESCN(c1ccc(Oc2ccc(C(=O)CO)cc2)cc1)c1ncnc2ccccc12
InChIInChI=1S/C23H19N3O3/c1-26(23-20-4-2-3-5-21(20)24-15-25-23)17-8-12-19(13-9-17)29-18-10-6-16(7-11-18)22(28)14-27/h2-13,15,27H,14H2,1H3
InChIKeyNJJLCOSSZQTTRC-UHFFFAOYSA-N
XLogP4.36
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
CID 122550258
methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate
CID 122550232
N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine
CID 134186489
N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
CID 36790361
4-quinazolin-4-yloxybenzoic acid
CID 61395638
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 11325910
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-quinazolin-4-ylcarbamate
CID 174779366
4-N-(4-methoxyphenyl)-4-N-methylquinazoline-4,7-diamine
CID 65337366
N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
CID 122550155
N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone (CID 159797660) is 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone is CN(c1ccc(Oc2ccc(C(=O)CO)cc2)cc1)c1ncnc2ccccc12.
What is the InChIKey of 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone?
The InChIKey is NJJLCOSSZQTTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-26(23-20-4-2-3-5-21(20)24-15-25-23)17-8-12-19(13-9-17)29-18-10-6-16(7-11-18)22(28)14-27/h2-13,15,27H,14H2,1H3.
What are the key properties of 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone?
2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone has a molecular weight of 385.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone is sourced from PubChem (CID 159797660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).