N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine

C16H16N4O — CID 11529244

IUPACN-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cn1
InChIInChI=1S/C16H16N4O/c1-11-18-14-7-5-4-6-13(14)16(19-11)20(2)12-8-9-15(21-3)17-10-12/h4-10H,1-3H3
InChIKeyJTGWDXMHVGTWEP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.11
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine

N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine (PubChem CID 11529244) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine
PubChem CID11529244
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cn1
InChIInChI=1S/C16H16N4O/c1-11-18-14-7-5-4-6-13(14)16(19-11)20(2)12-8-9-15(21-3)17-10-12/h4-10H,1-3H3
InChIKeyJTGWDXMHVGTWEP-UHFFFAOYSA-N
XLogP3.11
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine (CID 11529244) is N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine is COc1ccc(N(C)c2nc(C)nc3ccccc23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is JTGWDXMHVGTWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-18-14-7-5-4-6-13(14)16(19-11)20(2)12-8-9-15(21-3)17-10-12/h4-10H,1-3H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine?
N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 11529244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).