6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C20H17N5O — CID 71179842

IUPAC6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cncc(OC)c3)cc12
InChIInChI=1S/C20H17N5O/c1-21-20-17-9-13(15-8-16(26-2)12-23-11-15)5-6-18(17)24-19(25-20)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,21,24,25)
InChIKeyYPZDFJTUWLBIHE-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.80
Rot. Bonds4

About 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71179842) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71179842
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cncc(OC)c3)cc12
InChIInChI=1S/C20H17N5O/c1-21-20-17-9-13(15-8-16(26-2)12-23-11-15)5-6-18(17)24-19(25-20)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,21,24,25)
InChIKeyYPZDFJTUWLBIHE-UHFFFAOYSA-N
XLogP3.80
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71179842) is 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3cncc(OC)c3)cc12.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is YPZDFJTUWLBIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-21-20-17-9-13(15-8-16(26-2)12-23-11-15)5-6-18(17)24-19(25-20)14-4-3-7-22-10-14/h3-12H,1-2H3,(H,21,24,25).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 343.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71179842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).