2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide

C17H17N5O3 — CID 122444964

IUPAC2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)nc1
InChIInChI=1S/C17H17N5O3/c1-24-11-7-6-10(19-9-11)8-20-16(23)15-12-4-3-5-13(25-2)14(12)21-17(18)22-15/h3-7,9H,8H2,1-2H3,(H,20,23)(H2,18,21,22)
InChIKeyMDOJLXHRFIJLOH-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.55
Rot. Bonds5

About 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide

2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide (PubChem CID 122444964) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
PubChem CID122444964
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)nc1
InChIInChI=1S/C17H17N5O3/c1-24-11-7-6-10(19-9-11)8-20-16(23)15-12-4-3-5-13(25-2)14(12)21-17(18)22-15/h3-7,9H,8H2,1-2H3,(H,20,23)(H2,18,21,22)
InChIKeyMDOJLXHRFIJLOH-UHFFFAOYSA-N
XLogP1.55
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide (CID 122444964) is 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide is COc1ccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)nc1.
What is the InChIKey of 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The InChIKey is MDOJLXHRFIJLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-11-7-6-10(19-9-11)8-20-16(23)15-12-4-3-5-13(25-2)14(12)21-17(18)22-15/h3-7,9H,8H2,1-2H3,(H,20,23)(H2,18,21,22).
What are the key properties of 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).