N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

C18H19N3O — CID 67597997

IUPACN-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccc(CCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-22-12-15-8-6-14(7-9-15)10-11-19-18-16-4-2-3-5-17(16)20-13-21-18/h2-9,13H,10-12H2,1H3,(H,19,20,21)
InChIKeyXJPKRGCVYMUFPA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.43
Rot. Bonds6

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

N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 67597997) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID67597997
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccc(CCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-22-12-15-8-6-14(7-9-15)10-11-19-18-16-4-2-3-5-17(16)20-13-21-18/h2-9,13H,10-12H2,1H3,(H,19,20,21)
InChIKeyXJPKRGCVYMUFPA-UHFFFAOYSA-N
XLogP3.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (CID 67597997) is N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is COCc1ccc(CCNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is XJPKRGCVYMUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-12-15-8-6-14(7-9-15)10-11-19-18-16-4-2-3-5-17(16)20-13-21-18/h2-9,13H,10-12H2,1H3,(H,19,20,21).
What are the key properties of N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 67597997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).