6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine

C18H19N3O2 — CID 6926621

IUPAC6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC
InChIInChI=1S/C18H19N3O2/c1-12(13-7-5-4-6-8-13)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-12H,1-3H3,(H,19,20,21)/t12-/m1/s1
InChIKeyRJFMUYZWDLSYSX-GFCCVEGCSA-N
MW309.37 g/mol
LogP3.82
Rot. Bonds5

About 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine

6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine (PubChem CID 6926621) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
PubChem CID6926621
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC
InChIInChI=1S/C18H19N3O2/c1-12(13-7-5-4-6-8-13)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-12H,1-3H3,(H,19,20,21)/t12-/m1/s1
InChIKeyRJFMUYZWDLSYSX-GFCCVEGCSA-N
XLogP3.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine (CID 6926621) is 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine is COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The InChIKey is RJFMUYZWDLSYSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(13-7-5-4-6-8-13)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-12H,1-3H3,(H,19,20,21)/t12-/m1/s1.
What are the key properties of 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine is sourced from PubChem (CID 6926621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).