N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine

C18H25N3O2 — CID 146283213

IUPACN-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine
SMILESC/C=C(\CC(OC)OCC)CN(C)c1ncnc2ccccc12
InChIInChI=1S/C18H25N3O2/c1-5-14(11-17(22-4)23-6-2)12-21(3)18-15-9-7-8-10-16(15)19-13-20-18/h5,7-10,13,17H,6,11-12H2,1-4H3/b14-5+
InChIKeyZAWNSJTWIOBZTJ-LHHJGKSTSA-N
MW315.42 g/mol
LogP3.41
Rot. Bonds8

About N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine

N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine (PubChem CID 146283213) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine
PubChem CID146283213
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine
SMILESC/C=C(\CC(OC)OCC)CN(C)c1ncnc2ccccc12
InChIInChI=1S/C18H25N3O2/c1-5-14(11-17(22-4)23-6-2)12-21(3)18-15-9-7-8-10-16(15)19-13-20-18/h5,7-10,13,17H,6,11-12H2,1-4H3/b14-5+
InChIKeyZAWNSJTWIOBZTJ-LHHJGKSTSA-N
XLogP3.41
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine?
The IUPAC name of N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine (CID 146283213) is N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine?
The canonical SMILES for N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine is C/C=C(\CC(OC)OCC)CN(C)c1ncnc2ccccc12.
What is the InChIKey of N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine?
The InChIKey is ZAWNSJTWIOBZTJ-LHHJGKSTSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-14(11-17(22-4)23-6-2)12-21(3)18-15-9-7-8-10-16(15)19-13-20-18/h5,7-10,13,17H,6,11-12H2,1-4H3/b14-5+.
What are the key properties of N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine?
N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-ethoxy-2-methoxyethyl)but-2-enyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 146283213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).