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

C18H19N3O — CID 163348860

IUPACN-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
SMILESCOc1ccc(CCN(C)c2ncnc3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-21(12-11-14-7-9-15(22-2)10-8-14)18-16-5-3-4-6-17(16)19-13-20-18/h3-10,13H,11-12H2,1-2H3
InChIKeyWSCKBKCHFBIJDA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.32
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine (PubChem CID 163348860) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
PubChem CID163348860
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
SMILESCOc1ccc(CCN(C)c2ncnc3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-21(12-11-14-7-9-15(22-2)10-8-14)18-16-5-3-4-6-17(16)19-13-20-18/h3-10,13H,11-12H2,1-2H3
InChIKeyWSCKBKCHFBIJDA-UHFFFAOYSA-N
XLogP3.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[methyl(quinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 56840778
3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
N-butyl-6-methoxy-N-methylquinazolin-4-amine
CID 21002840
N-butyl-7-methoxy-N-methylquinazolin-4-amine
CID 21003105
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
CID 12797563
N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 62593023
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]ethyl]phenyl]-3-phenylurea
CID 59268644
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
6-fluoro-N-[2-(2-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 133300967
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N'-[(3,4-dimethoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 110194315

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine (CID 163348860) is N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine is COc1ccc(CCN(C)c2ncnc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine?
The InChIKey is WSCKBKCHFBIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(12-11-14-7-9-15(22-2)10-8-14)18-16-5-3-4-6-17(16)19-13-20-18/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine?
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 163348860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).