N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine

C18H19N3O2 — CID 3232599

IUPACN-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOCCNc1ncnc2ccc(-c3cccc(OC)c3)cc12
InChIInChI=1S/C18H19N3O2/c1-22-9-8-19-18-16-11-14(6-7-17(16)20-12-21-18)13-4-3-5-15(10-13)23-2/h3-7,10-12H,8-9H2,1-2H3,(H,19,20,21)
InChIKeyRBKDRTRYNASJOF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.36
Rot. Bonds6

About N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine

N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 3232599) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID3232599
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOCCNc1ncnc2ccc(-c3cccc(OC)c3)cc12
InChIInChI=1S/C18H19N3O2/c1-22-9-8-19-18-16-11-14(6-7-17(16)20-12-21-18)13-4-3-5-15(10-13)23-2/h3-7,10-12H,8-9H2,1-2H3,(H,19,20,21)
InChIKeyRBKDRTRYNASJOF-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
6-[3-[2-(1,3-dioxolan-2-yl)ethoxy]phenyl]-N-(3-methylbutyl)quinazolin-4-amine
CID 69016508
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
CID 133274665
6-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)quinazoline
CID 25054919
N-(2-methoxyethyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241898
6-N-(2-chloroethyl)-4-N-(3-methoxyphenyl)quinazoline-4,6-diamine
CID 166972075
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981946
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
CID 12928959
2-[2-[(7-methoxyquinazolin-4-yl)amino]ethoxy]ethanol
CID 21003121

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine (CID 3232599) is N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine is COCCNc1ncnc2ccc(-c3cccc(OC)c3)cc12.
What is the InChIKey of N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is RBKDRTRYNASJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-9-8-19-18-16-11-14(6-7-17(16)20-12-21-18)13-4-3-5-15(10-13)23-2/h3-7,10-12H,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine?
N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 3232599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).