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

C18H19N3O2 — CID 12928849

IUPACN-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
SMILESCOc1cc(C)ccc1OCCNc1ncnc2ccccc12
InChIInChI=1S/C18H19N3O2/c1-13-7-8-16(17(11-13)22-2)23-10-9-19-18-14-5-3-4-6-15(14)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeySAJZRPZNIZAINS-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.44
Rot. Bonds6

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

N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine (PubChem CID 12928849) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
PubChem CID12928849
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
SMILESCOc1cc(C)ccc1OCCNc1ncnc2ccccc12
InChIInChI=1S/C18H19N3O2/c1-13-7-8-16(17(11-13)22-2)23-10-9-19-18-14-5-3-4-6-15(14)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21)
InChIKeySAJZRPZNIZAINS-UHFFFAOYSA-N
XLogP3.44
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.44
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-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
N-[2-(2,4-dichlorophenoxy)ethyl]quinazolin-4-amine
CID 12928809
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
CID 12928959
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
N-[4-(2-methoxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890166
N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437127
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine (CID 12928849) is N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine is COc1cc(C)ccc1OCCNc1ncnc2ccccc12.
What is the InChIKey of N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine?
The InChIKey is SAJZRPZNIZAINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-7-8-16(17(11-13)22-2)23-10-9-19-18-14-5-3-4-6-15(14)20-12-21-18/h3-8,11-12H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine?
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine is sourced from PubChem (CID 12928849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).