N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine

C24H32N4O — CID 3304180

IUPACN-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine
SMILESCC12CC3CC(C)(C1)CC(Nc1nc(N4CCOCC4)nc4ccccc14)(C3)C2
InChIInChI=1S/C24H32N4O/c1-22-11-17-12-23(2,14-22)16-24(13-17,15-22)27-20-18-5-3-4-6-19(18)25-21(26-20)28-7-9-29-10-8-28/h3-6,17H,7-16H2,1-2H3,(H,25,26,27)
InChIKeyNEQKRQNJWVQPQG-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.63
Rot. Bonds3

About N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine

N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine (PubChem CID 3304180) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine
PubChem CID3304180
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine
SMILESCC12CC3CC(C)(C1)CC(Nc1nc(N4CCOCC4)nc4ccccc14)(C3)C2
InChIInChI=1S/C24H32N4O/c1-22-11-17-12-23(2,14-22)16-24(13-17,15-22)27-20-18-5-3-4-6-19(18)25-21(26-20)28-7-9-29-10-8-28/h3-6,17H,7-16H2,1-2H3,(H,25,26,27)
InChIKeyNEQKRQNJWVQPQG-UHFFFAOYSA-N
XLogP4.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine (CID 3304180) is N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine is CC12CC3CC(C)(C1)CC(Nc1nc(N4CCOCC4)nc4ccccc14)(C3)C2.
What is the InChIKey of N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine?
The InChIKey is NEQKRQNJWVQPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-22-11-17-12-23(2,14-22)16-24(13-17,15-22)27-20-18-5-3-4-6-19(18)25-21(26-20)28-7-9-29-10-8-28/h3-6,17H,7-16H2,1-2H3,(H,25,26,27).
What are the key properties of N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine?
N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine has a molecular weight of 392.55 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3304180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).