N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine

C18H19N3O2 — CID 133413555

IUPACN-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
SMILESCOc1cccc(COCCNc2ncnc3ccccc23)c1
InChIInChI=1S/C18H19N3O2/c1-22-15-6-4-5-14(11-15)12-23-10-9-19-18-16-7-2-3-8-17(16)20-13-21-18/h2-8,11,13H,9-10,12H2,1H3,(H,19,20,21)
InChIKeyYCJOLWRDEKMMGL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine

N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine (PubChem CID 133413555) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
PubChem CID133413555
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
SMILESCOc1cccc(COCCNc2ncnc3ccccc23)c1
InChIInChI=1S/C18H19N3O2/c1-22-15-6-4-5-14(11-15)12-23-10-9-19-18-16-7-2-3-8-17(16)20-13-21-18/h2-8,11,13H,9-10,12H2,1H3,(H,19,20,21)
InChIKeyYCJOLWRDEKMMGL-UHFFFAOYSA-N
XLogP3.27
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylmethoxyethyl)quinazolin-4-amine
CID 12928829
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
CID 12928959
4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
CID 133390220
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
CID 133444711
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzothiazol-2-amine
CID 133390194
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
CID 133390192
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
CID 3232599
2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol
CID 21003121
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine (CID 133413555) is N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine is COc1cccc(COCCNc2ncnc3ccccc23)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine?
The InChIKey is YCJOLWRDEKMMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-15-6-4-5-14(11-15)12-23-10-9-19-18-16-7-2-3-8-17(16)20-13-21-18/h2-8,11,13H,9-10,12H2,1H3,(H,19,20,21).
What are the key properties of N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine?
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine is sourced from PubChem (CID 133413555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).