6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine

C19H21N3O2 — CID 142432918

IUPAC6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3ccccc3)c2cc1OC
InChIInChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1
InChIKeySQSDNOVLVOTMJE-GFCCVEGCSA-N
MW323.40 g/mol
LogP4.13
Rot. Bonds5

About 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine (PubChem CID 142432918) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine
PubChem CID142432918
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(N[C@H](C)c3ccccc3)c2cc1OC
InChIInChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1
InChIKeySQSDNOVLVOTMJE-GFCCVEGCSA-N
XLogP4.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine (CID 142432918) is 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine is COc1cc2nc(C)nc(N[C@H](C)c3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
The InChIKey is SQSDNOVLVOTMJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1.
What are the key properties of 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[(1R)-1-phenylethyl]quinazolin-4-amine is sourced from PubChem (CID 142432918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).