N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine

C19H21N3O2 — CID 133444711

IUPACN-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
SMILESCOc1ccc(COCCNc2ncnc3cccc(C)c23)cc1
InChIInChI=1S/C19H21N3O2/c1-14-4-3-5-17-18(14)19(22-13-21-17)20-10-11-24-12-15-6-8-16(23-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,20,21,22)
InChIKeyLPTAZPFFVZDCDD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.58
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine

N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine (PubChem CID 133444711) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
PubChem CID133444711
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
SMILESCOc1ccc(COCCNc2ncnc3cccc(C)c23)cc1
InChIInChI=1S/C19H21N3O2/c1-14-4-3-5-17-18(14)19(22-13-21-17)20-10-11-24-12-15-6-8-16(23-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,20,21,22)
InChIKeyLPTAZPFFVZDCDD-UHFFFAOYSA-N
XLogP3.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.58
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-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
CID 133444704
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
CID 133444709
5-methyl-N-pentylquinazolin-4-amine
CID 25175828
N-(2-phenylmethoxyethyl)quinazolin-4-amine
CID 12928829
4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349192
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine?
The IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine (CID 133444711) is N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine is COc1ccc(COCCNc2ncnc3cccc(C)c23)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine?
The InChIKey is LPTAZPFFVZDCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-4-3-5-17-18(14)19(22-13-21-17)20-10-11-24-12-15-6-8-16(23-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine?
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine is sourced from PubChem (CID 133444711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).