4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol

C23H30N4O5 — CID 13408817

IUPAC4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SMILESCCN(CC)c1nc(NCC(O)c2ccc(O)c(CO)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C23H30N4O5/c1-5-27(6-2)23-25-17-11-21(32-4)20(31-3)10-16(17)22(26-23)24-12-19(30)14-7-8-18(29)15(9-14)13-28/h7-11,19,28-30H,5-6,12-13H2,1-4H3,(H,24,25,26)
InChIKeyJQUUVYXJKJUASD-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.84
Rot. Bonds10

About 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol

4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol (PubChem CID 13408817) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
PubChem CID13408817
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
SMILESCCN(CC)c1nc(NCC(O)c2ccc(O)c(CO)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C23H30N4O5/c1-5-27(6-2)23-25-17-11-21(32-4)20(31-3)10-16(17)22(26-23)24-12-19(30)14-7-8-18(29)15(9-14)13-28/h7-11,19,28-30H,5-6,12-13H2,1-4H3,(H,24,25,26)
InChIKeyJQUUVYXJKJUASD-UHFFFAOYSA-N
XLogP2.84
TPSA120.20 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol with MolForge

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Related Compounds

5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
CID 13408813
[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea;hydrate
CID 21155177
1-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-3-methylurea
CID 3077572
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;ethanol
CID 174929036
(1R)-2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 125479748
(1S)-2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 125479745
2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]ethanol
CID 134103872
4-[2-[2-[4-(3,4-dimethoxyanilino)phenyl]ethylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol
CID 59119423
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 67043406
1-[(6,7-dimethoxy-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 84977192
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;methanesulfonic acid
CID 75950939
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;methanesulfonic acid
CID 52911505

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol (CID 13408817) is 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol is CCN(CC)c1nc(NCC(O)c2ccc(O)c(CO)c2)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol?
The InChIKey is JQUUVYXJKJUASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-5-27(6-2)23-25-17-11-21(32-4)20(31-3)10-16(17)22(26-23)24-12-19(30)14-7-8-18(29)15(9-14)13-28/h7-11,19,28-30H,5-6,12-13H2,1-4H3,(H,24,25,26).
What are the key properties of 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol?
4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol has a molecular weight of 442.52 g/mol, XLogP of 2.84, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 13408817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).