6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

C18H17Cl2N3O — CID 67610375

IUPAC6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C18H17Cl2N3O/c1-24-10-13-5-3-2-4-12(13)6-7-21-18-15-8-14(19)9-16(20)17(15)22-11-23-18/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,23)
InChIKeyWSGHIXOSSHQITB-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.74
Rot. Bonds6

About 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine

6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 67610375) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID67610375
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCOCc1ccccc1CCNc1ncnc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C18H17Cl2N3O/c1-24-10-13-5-3-2-4-12(13)6-7-21-18-15-8-14(19)9-16(20)17(15)22-11-23-18/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,23)
InChIKeyWSGHIXOSSHQITB-UHFFFAOYSA-N
XLogP4.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine (CID 67610375) is 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is COCc1ccccc1CCNc1ncnc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is WSGHIXOSSHQITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-24-10-13-5-3-2-4-12(13)6-7-21-18-15-8-14(19)9-16(20)17(15)22-11-23-18/h2-5,8-9,11H,6-7,10H2,1H3,(H,21,22,23).
What are the key properties of 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine?
6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 362.26 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 67610375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).