4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol

C25H34N4O2 — CID 45244786

IUPAC4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol
SMILESCOc1ccc2c(C)nc(N3CCC(NC4C5CC6CC4CC(O)(C6)C5)CC3)nc2c1
InChIInChI=1S/C25H34N4O2/c1-15-21-4-3-20(31-2)11-22(21)28-24(26-15)29-7-5-19(6-8-29)27-23-17-9-16-10-18(23)14-25(30,12-16)13-17/h3-4,11,16-19,23,27,30H,5-10,12-14H2,1-2H3
InChIKeyNZQVBMRJUTTYIC-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.44
Rot. Bonds4

About 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol

4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol (PubChem CID 45244786) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol
PubChem CID45244786
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol
SMILESCOc1ccc2c(C)nc(N3CCC(NC4C5CC6CC4CC(O)(C6)C5)CC3)nc2c1
InChIInChI=1S/C25H34N4O2/c1-15-21-4-3-20(31-2)11-22(21)28-24(26-15)29-7-5-19(6-8-29)27-23-17-9-16-10-18(23)14-25(30,12-16)13-17/h3-4,11,16-19,23,27,30H,5-10,12-14H2,1-2H3
InChIKeyNZQVBMRJUTTYIC-UHFFFAOYSA-N
XLogP3.44
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol (CID 45244786) is 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol is COc1ccc2c(C)nc(N3CCC(NC4C5CC6CC4CC(O)(C6)C5)CC3)nc2c1.
What is the InChIKey of 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol?
The InChIKey is NZQVBMRJUTTYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-15-21-4-3-20(31-2)11-22(21)28-24(26-15)29-7-5-19(6-8-29)27-23-17-9-16-10-18(23)14-25(30,12-16)13-17/h3-4,11,16-19,23,27,30H,5-10,12-14H2,1-2H3.
What are the key properties of 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol?
4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol has a molecular weight of 422.57 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]adamantan-1-ol is sourced from PubChem (CID 45244786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).