1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol

C20H22N4O2 — CID 50946885

IUPAC1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nc(N3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C20H22N4O2/c1-14(25)15-5-4-6-16(13-15)21-20-22-18-8-3-2-7-17(18)19(23-20)24-9-11-26-12-10-24/h2-8,13-14,25H,9-12H2,1H3,(H,21,22,23)
InChIKeySSGYTYRBDBEGNE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.26
Rot. Bonds4

About 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol

1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol (PubChem CID 50946885) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol
PubChem CID50946885
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nc(N3CCOCC3)c3ccccc3n2)c1
InChIInChI=1S/C20H22N4O2/c1-14(25)15-5-4-6-16(13-15)21-20-22-18-8-3-2-7-17(18)19(23-20)24-9-11-26-12-10-24/h2-8,13-14,25H,9-12H2,1H3,(H,21,22,23)
InChIKeySSGYTYRBDBEGNE-UHFFFAOYSA-N
XLogP3.26
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-4-morpholin-4-ylquinazolin-2-amine
CID 39861394
N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2910267
4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
CID 2972487
N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2975510
4-[[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino]phenol
CID 769532
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 50946172
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
CID 143177747
N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
CID 2095932
4-fluoro-1-N-(4-pyrrolidin-1-ylquinazolin-2-yl)benzene-1,3-diamine
CID 141431025
3-[[4-(propan-2-ylamino)quinazolin-2-yl]amino]benzoic acid
CID 91966067

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol (CID 50946885) is 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol is CC(O)c1cccc(Nc2nc(N3CCOCC3)c3ccccc3n2)c1.
What is the InChIKey of 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol?
The InChIKey is SSGYTYRBDBEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(25)15-5-4-6-16(13-15)21-20-22-18-8-3-2-7-17(18)19(23-20)24-9-11-26-12-10-24/h2-8,13-14,25H,9-12H2,1H3,(H,21,22,23).
What are the key properties of 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol?
1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol has a molecular weight of 350.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-morpholin-4-ylquinazolin-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 50946885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).