ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C21H26N4O — CID 143267063

IUPACethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCC.Cc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C19H20N4O.C2H6/c1-14-2-7-18-17(12-14)19(21-13-20-18)22-15-3-5-16(6-4-15)23-8-10-24-11-9-23;1-2/h2-7,12-13H,8-11H2,1H3,(H,20,21,22);1-2H3
InChIKeyIKMJCUMZCLTDMR-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.54
Rot. Bonds3

About ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 143267063) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Nameethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID143267063
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Nameethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCC.Cc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C19H20N4O.C2H6/c1-14-2-7-18-17(12-14)19(21-13-20-18)22-15-3-5-16(6-4-15)23-8-10-24-11-9-23;1-2/h2-7,12-13H,8-11H2,1H3,(H,20,21,22);1-2H3
InChIKeyIKMJCUMZCLTDMR-UHFFFAOYSA-N
XLogP4.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 143267063) is ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is CC.Cc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1.
What is the InChIKey of ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is IKMJCUMZCLTDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C2H6/c1-14-2-7-18-17(12-14)19(21-13-20-18)22-15-3-5-16(6-4-15)23-8-10-24-11-9-23;1-2/h2-7,12-13H,8-11H2,1H3,(H,20,21,22);1-2H3.
What are the key properties of ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 143267063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).