4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol

C18H26N4O2 — CID 58082320

IUPAC4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
SMILESCN(C)CCOc1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C18H26N4O2/c1-22(2)9-10-24-16-8-3-13-12-19-18(21-17(13)11-16)20-14-4-6-15(23)7-5-14/h3,8,11-12,14-15,23H,4-7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyBJXBAJNGHRXNQO-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.29
Rot. Bonds6

About 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol

4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol (PubChem CID 58082320) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
PubChem CID58082320
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
SMILESCN(C)CCOc1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C18H26N4O2/c1-22(2)9-10-24-16-8-3-13-12-19-18(21-17(13)11-16)20-14-4-6-15(23)7-5-14/h3,8,11-12,14-15,23H,4-7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyBJXBAJNGHRXNQO-UHFFFAOYSA-N
XLogP2.29
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol (CID 58082320) is 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol is CN(C)CCOc1ccc2cnc(NC3CCC(O)CC3)nc2c1.
What is the InChIKey of 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is BJXBAJNGHRXNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-22(2)9-10-24-16-8-3-13-12-19-18(21-17(13)11-16)20-14-4-6-15(23)7-5-14/h3,8,11-12,14-15,23H,4-7,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol?
4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 330.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[2-(dimethylamino)ethoxy]quinazolin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 58082320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).