2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide

C17H17N5O3 — CID 122445003

IUPAC2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1cccnc1CNC(=O)c1nc(N)nc2c(OC)cccc12
InChIInChI=1S/C17H17N5O3/c1-24-12-7-4-8-19-11(12)9-20-16(23)15-10-5-3-6-13(25-2)14(10)21-17(18)22-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22)
InChIKeyGZDCMHGJKCFMFF-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.55
Rot. Bonds5

About 2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide

2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide (PubChem CID 122445003) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
PubChem CID122445003
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1cccnc1CNC(=O)c1nc(N)nc2c(OC)cccc12
InChIInChI=1S/C17H17N5O3/c1-24-12-7-4-8-19-11(12)9-20-16(23)15-10-5-3-6-13(25-2)14(10)21-17(18)22-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22)
InChIKeyGZDCMHGJKCFMFF-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-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide (CID 122445003) is 2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide is COc1cccnc1CNC(=O)c1nc(N)nc2c(OC)cccc12.
What is the InChIKey of 2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The InChIKey is GZDCMHGJKCFMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-12-7-4-8-19-11(12)9-20-16(23)15-10-5-3-6-13(25-2)14(10)21-17(18)22-15/h3-8H,9H2,1-2H3,(H,20,23)(H2,18,21,22).
What are the key properties of 2-amino-8-methoxy-N-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
2-amino-8-methoxy-N-[(3-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-[(3-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122445003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).