2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol

C23H28N4O4 — CID 14022381

IUPAC2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol
SMILESCOc1cc2nc(N3CCC(OCC(O)c4ccccc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C23H28N4O4/c1-29-20-12-17-18(13-21(20)30-2)25-23(26-22(17)24)27-10-8-16(9-11-27)31-14-19(28)15-6-4-3-5-7-15/h3-7,12-13,16,19,28H,8-11,14H2,1-2H3,(H2,24,25,26)
InChIKeyPIZXNXQJJKIILK-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.95
Rot. Bonds7

About 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol

2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol (PubChem CID 14022381) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol
PubChem CID14022381
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol
SMILESCOc1cc2nc(N3CCC(OCC(O)c4ccccc4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C23H28N4O4/c1-29-20-12-17-18(13-21(20)30-2)25-23(26-22(17)24)27-10-8-16(9-11-27)31-14-19(28)15-6-4-3-5-7-15/h3-7,12-13,16,19,28H,8-11,14H2,1-2H3,(H2,24,25,26)
InChIKeyPIZXNXQJJKIILK-UHFFFAOYSA-N
XLogP2.95
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol?
The IUPAC name of 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol (CID 14022381) is 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol.
What is the SMILES notation for 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol?
The canonical SMILES for 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol is COc1cc2nc(N3CCC(OCC(O)c4ccccc4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol?
The InChIKey is PIZXNXQJJKIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-29-20-12-17-18(13-21(20)30-2)25-23(26-22(17)24)27-10-8-16(9-11-27)31-14-19(28)15-6-4-3-5-7-15/h3-7,12-13,16,19,28H,8-11,14H2,1-2H3,(H2,24,25,26).
What are the key properties of 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol?
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol has a molecular weight of 424.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]oxy-1-phenylethanol is sourced from PubChem (CID 14022381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).