N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine

C17H17N3O2 — CID 12928811

IUPACN-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
SMILESCOc1ccc(OCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-21-13-6-8-14(9-7-13)22-11-10-18-17-15-4-2-3-5-16(15)19-12-20-17/h2-9,12H,10-11H2,1H3,(H,18,19,20)
InChIKeyVUKBIUDZZDJPLB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine

N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine (PubChem CID 12928811) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
PubChem CID12928811
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
SMILESCOc1ccc(OCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-21-13-6-8-14(9-7-13)22-11-10-18-17-15-4-2-3-5-16(15)19-12-20-17/h2-9,12H,10-11H2,1H3,(H,18,19,20)
InChIKeyVUKBIUDZZDJPLB-UHFFFAOYSA-N
XLogP3.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.13
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-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 21003978
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
CID 12928849
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
CID 12928959
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride
CID 24845741
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
N-(2-phenylmethoxyethyl)quinazolin-4-amine
CID 12928829
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67597997

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine (CID 12928811) is N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine is COc1ccc(OCCNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine?
The InChIKey is VUKBIUDZZDJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-21-13-6-8-14(9-7-13)22-11-10-18-17-15-4-2-3-5-16(15)19-12-20-17/h2-9,12H,10-11H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine?
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine has a molecular weight of 295.34 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine is sourced from PubChem (CID 12928811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).