5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol

C22H28N4O5 — CID 13408813

IUPAC5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
SMILESCCN(CC)c1nc(NCC(O)c2cc(O)cc(O)c2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C22H28N4O5/c1-5-26(6-2)21-16-10-19(30-3)20(31-4)11-17(16)24-22(25-21)23-12-18(29)13-7-14(27)9-15(28)8-13/h7-11,18,27-29H,5-6,12H2,1-4H3,(H,23,24,25)
InChIKeyJVYYQAOKYQRJCG-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.05
Rot. Bonds9

About 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol

5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol (PubChem CID 13408813) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
PubChem CID13408813
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
SMILESCCN(CC)c1nc(NCC(O)c2cc(O)cc(O)c2)nc2cc(OC)c(OC)cc12
InChIInChI=1S/C22H28N4O5/c1-5-26(6-2)21-16-10-19(30-3)20(31-4)11-17(16)24-22(25-21)23-12-18(29)13-7-14(27)9-15(28)8-13/h7-11,18,27-29H,5-6,12H2,1-4H3,(H,23,24,25)
InChIKeyJVYYQAOKYQRJCG-UHFFFAOYSA-N
XLogP3.05
TPSA120.20 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol?
The IUPAC name of 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol (CID 13408813) is 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol?
The canonical SMILES for 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol is CCN(CC)c1nc(NCC(O)c2cc(O)cc(O)c2)nc2cc(OC)c(OC)cc12.
What is the InChIKey of 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol?
The InChIKey is JVYYQAOKYQRJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-5-26(6-2)21-16-10-19(30-3)20(31-4)11-17(16)24-22(25-21)23-12-18(29)13-7-14(27)9-15(28)8-13/h7-11,18,27-29H,5-6,12H2,1-4H3,(H,23,24,25).
What are the key properties of 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol?
5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol has a molecular weight of 428.49 g/mol, XLogP of 3.05, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-(diethylamino)-6,7-dimethoxyquinazolin-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol is sourced from PubChem (CID 13408813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).