2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide

C17H17N5O3 — CID 122444920

IUPAC2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)n1
InChIInChI=1S/C17H17N5O3/c1-24-12-7-4-6-11-14(12)21-17(18)22-15(11)16(23)19-9-10-5-3-8-13(20-10)25-2/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22)
InChIKeyFFQXVWCDSUWPDY-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.55
Rot. Bonds5

About 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide

2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide (PubChem CID 122444920) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
PubChem CID122444920
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)n1
InChIInChI=1S/C17H17N5O3/c1-24-12-7-4-6-11-14(12)21-17(18)22-15(11)16(23)19-9-10-5-3-8-13(20-10)25-2/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22)
InChIKeyFFQXVWCDSUWPDY-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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Related Compounds

4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
2-amino-N-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 91864603
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
2-amino-N-[(6-cyclobutyl-2-pyridinyl)methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444916
2-amino-N-[[6-(2-hydroxypropan-2-yl)-3-methyl-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444921
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
2-amino-8-methoxy-N-[(6-propan-2-yl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444963
2-amino-N-(quinolin-8-ylmethyl)-8-(trifluoromethoxy)quinazoline-4-carboxamide
CID 122444974
2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
2-amino-8-methoxy-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444996
2-amino-8-methoxy-N-[[6-(trifluoromethyl)pyridin-2-yl]methyl]quinazoline-4-carboxamide
CID 122485352

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide (CID 122444920) is 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide is COc1cccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)n1.
What is the InChIKey of 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
The InChIKey is FFQXVWCDSUWPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-12-7-4-6-11-14(12)21-17(18)22-15(11)16(23)19-9-10-5-3-8-13(20-10)25-2/h3-8H,9H2,1-2H3,(H,19,23)(H2,18,21,22).
What are the key properties of 2-amino-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide?
2-amino-8-methoxy-N-[(6-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-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).