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

C22H20N4O2 — CID 169491213

IUPACN-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(NCc4ccccc4)c3c2)cnc1OC
InChIInChI=1S/C22H20N4O2/c1-27-20-11-17(13-24-22(20)28-2)16-8-9-19-18(10-16)21(26-14-25-19)23-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,23,25,26)
InChIKeyATCNEEUMFHUVEV-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.32
Rot. Bonds6

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

N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine (PubChem CID 169491213) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine
PubChem CID169491213
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(NCc4ccccc4)c3c2)cnc1OC
InChIInChI=1S/C22H20N4O2/c1-27-20-11-17(13-24-22(20)28-2)16-8-9-19-18(10-16)21(26-14-25-19)23-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,23,25,26)
InChIKeyATCNEEUMFHUVEV-UHFFFAOYSA-N
XLogP4.32
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine (CID 169491213) is N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine is COc1cc(-c2ccc3ncnc(NCc4ccccc4)c3c2)cnc1OC.
What is the InChIKey of N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine?
The InChIKey is ATCNEEUMFHUVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-27-20-11-17(13-24-22(20)28-2)16-8-9-19-18(10-16)21(26-14-25-19)23-12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,23,25,26).
What are the key properties of N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine?
N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine has a molecular weight of 372.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(5,6-dimethoxy-3-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 169491213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).