6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine

C23H22N4O2 — CID 164556550

IUPAC6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(NC(C)c4ccccc4)c3c2)cnc1OC
InChIInChI=1S/C23H22N4O2/c1-15(16-7-5-4-6-8-16)27-22-19-11-17(9-10-20(19)25-14-26-22)18-12-21(28-2)23(29-3)24-13-18/h4-15H,1-3H3,(H,25,26,27)
InChIKeyZLKQIOPKHPXAFO-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.88
Rot. Bonds6

About 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine

6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine (PubChem CID 164556550) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
PubChem CID164556550
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(NC(C)c4ccccc4)c3c2)cnc1OC
InChIInChI=1S/C23H22N4O2/c1-15(16-7-5-4-6-8-16)27-22-19-11-17(9-10-20(19)25-14-26-22)18-12-21(28-2)23(29-3)24-13-18/h4-15H,1-3H3,(H,25,26,27)
InChIKeyZLKQIOPKHPXAFO-UHFFFAOYSA-N
XLogP4.88
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine?
The IUPAC name of 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine (CID 164556550) is 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine is COc1cc(-c2ccc3ncnc(NC(C)c4ccccc4)c3c2)cnc1OC.
What is the InChIKey of 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine?
The InChIKey is ZLKQIOPKHPXAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(16-7-5-4-6-8-16)27-22-19-11-17(9-10-20(19)25-14-26-22)18-12-21(28-2)23(29-3)24-13-18/h4-15H,1-3H3,(H,25,26,27).
What are the key properties of 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine?
6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine has a molecular weight of 386.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethoxy-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 164556550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).