2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol

C23H22N4O2 — CID 138463296

IUPAC2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol
SMILESCNc1cccc(-c2cccc3cnc(Nc4ccc(OCCO)cc4)nc23)c1
InChIInChI=1S/C23H22N4O2/c1-24-19-6-2-4-16(14-19)21-7-3-5-17-15-25-23(27-22(17)21)26-18-8-10-20(11-9-18)29-13-12-28/h2-11,14-15,24,28H,12-13H2,1H3,(H,25,26,27)
InChIKeyPJKQDDSVYUHMHI-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.45
Rot. Bonds7

About 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol

2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol (PubChem CID 138463296) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol
PubChem CID138463296
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol
SMILESCNc1cccc(-c2cccc3cnc(Nc4ccc(OCCO)cc4)nc23)c1
InChIInChI=1S/C23H22N4O2/c1-24-19-6-2-4-16(14-19)21-7-3-5-17-15-25-23(27-22(17)21)26-18-8-10-20(11-9-18)29-13-12-28/h2-11,14-15,24,28H,12-13H2,1H3,(H,25,26,27)
InChIKeyPJKQDDSVYUHMHI-UHFFFAOYSA-N
XLogP4.45
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol with MolForge

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Related Compounds

2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol;prop-2-enal
CID 144797231
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
N-[3-[2-[4-(3-fluoro-1-methylpiperidin-4-yl)oxyanilino]quinazolin-8-yl]phenyl]acetamide
CID 134492426
2-[4-[methyl(sulfino)amino]anilino]-8-[4-[methyl(sulfino)amino]phenyl]quinazoline
CID 175196266
N-[3-[2-(4-aminoanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 138463042
8-(3-fluorophenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]quinazolin-2-amine
CID 117078407
N-[4-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]oxyphenyl]-8-phenylquinazolin-2-amine
CID 141446351
3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol
CID 150426927
(Z)-but-2-enedial;N-[3-[2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide;methanol
CID 144797268
N-[2-[2-(methylamino)ethylamino]-5-[(8-phenylquinazolin-2-yl)amino]phenyl]prop-2-enamide
CID 122500398
8-(4-methoxyphenyl)-N-[3-(2-piperazin-1-ylethyl)phenyl]quinazolin-2-amine
CID 175205439
6-(2-bromophenyl)-2-[4-(2-hydroxyethoxy)anilino]pyrido[2,3-d]pyrimidine-7-carbonitrile
CID 11408600

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol?
The IUPAC name of 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol (CID 138463296) is 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol is CNc1cccc(-c2cccc3cnc(Nc4ccc(OCCO)cc4)nc23)c1.
What is the InChIKey of 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol?
The InChIKey is PJKQDDSVYUHMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-24-19-6-2-4-16(14-19)21-7-3-5-17-15-25-23(27-22(17)21)26-18-8-10-20(11-9-18)29-13-12-28/h2-11,14-15,24,28H,12-13H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol?
2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol has a molecular weight of 386.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[8-[3-(methylamino)phenyl]quinazolin-2-yl]amino]phenoxy]ethanol is sourced from PubChem (CID 138463296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).