1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol

C18H26N4O — CID 121255037

IUPAC1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol
SMILESCC(O)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C18H26N4O/c1-12(23)13-4-9-17-16(10-13)18(20-11-19-17)21-14-5-7-15(8-6-14)22(2)3/h4,9-12,14-15,23H,5-8H2,1-3H3,(H,19,20,21)
InChIKeyDTLWRNBGXWZTBG-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.97
Rot. Bonds4

About 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol

1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol (PubChem CID 121255037) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol.

Molecular Properties

Compound Name1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol
PubChem CID121255037
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol
SMILESCC(O)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1
InChIInChI=1S/C18H26N4O/c1-12(23)13-4-9-17-16(10-13)18(20-11-19-17)21-14-5-7-15(8-6-14)22(2)3/h4,9-12,14-15,23H,5-8H2,1-3H3,(H,19,20,21)
InChIKeyDTLWRNBGXWZTBG-UHFFFAOYSA-N
XLogP2.97
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol?
The IUPAC name of 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol (CID 121255037) is 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol.
What is the SMILES notation for 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol?
The canonical SMILES for 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol is CC(O)c1ccc2ncnc(NC3CCC(N(C)C)CC3)c2c1.
What is the InChIKey of 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol?
The InChIKey is DTLWRNBGXWZTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12(23)13-4-9-17-16(10-13)18(20-11-19-17)21-14-5-7-15(8-6-14)22(2)3/h4,9-12,14-15,23H,5-8H2,1-3H3,(H,19,20,21).
What are the key properties of 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol?
1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol has a molecular weight of 314.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]ethanol is sourced from PubChem (CID 121255037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).