N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine

C22H22N4O3 — CID 3234591

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c(OC)c1
InChIInChI=1S/C22H22N4O3/c1-13-21(14(2)29-26-13)15-6-8-19-18(9-15)22(25-12-24-19)23-11-16-5-7-17(27-3)10-20(16)28-4/h5-10,12H,11H2,1-4H3,(H,23,24,25)
InChIKeyRAWGGWCJCVUCCV-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.53
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine (PubChem CID 3234591) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
PubChem CID3234591
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c(OC)c1
InChIInChI=1S/C22H22N4O3/c1-13-21(14(2)29-26-13)15-6-8-19-18(9-15)22(25-12-24-19)23-11-16-5-7-17(27-3)10-20(16)28-4/h5-10,12H,11H2,1-4H3,(H,23,24,25)
InChIKeyRAWGGWCJCVUCCV-UHFFFAOYSA-N
XLogP4.53
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine (CID 3234591) is N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine is COc1ccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
The InChIKey is RAWGGWCJCVUCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-21(14(2)29-26-13)15-6-8-19-18(9-15)22(25-12-24-19)23-11-16-5-7-17(27-3)10-20(16)28-4/h5-10,12H,11H2,1-4H3,(H,23,24,25).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine has a molecular weight of 390.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 3234591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).