2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide

C22H20N6O4 — CID 122444933

IUPAC2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
SMILES[2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(Oc2cncc(OC)c2)n1
InChIInChI=1S/C22H20N6O4/c1-30-14-9-15(12-24-11-14)32-18-8-3-5-13(26-18)10-25-21(29)20-16-6-4-7-17(31-2)19(16)27-22(23)28-20/h3-9,11-12H,10H2,1-2H3,(H,25,29)(H2,23,27,28)/i10D2
InChIKeyCBSRYNIJFIEGRP-KBMKNGFXSA-N
MW434.45 g/mol
LogP2.74
Rot. Bonds7

About 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide

2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide (PubChem CID 122444933) has the molecular formula C22H20N6O4 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
PubChem CID122444933
Molecular FormulaC22H20N6O4
Molecular Weight434.45 g/mol
Exact Mass434.17
IUPAC Name2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
SMILES[2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(Oc2cncc(OC)c2)n1
InChIInChI=1S/C22H20N6O4/c1-30-14-9-15(12-24-11-14)32-18-8-3-5-13(26-18)10-25-21(29)20-16-6-4-7-17(31-2)19(16)27-22(23)28-20/h3-9,11-12H,10H2,1-2H3,(H,25,29)(H2,23,27,28)/i10D2
InChIKeyCBSRYNIJFIEGRP-KBMKNGFXSA-N
XLogP2.74
TPSA134.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[dideuterio-[6-[4-(2-methoxyethoxy)phenoxy]-2-pyridinyl]methyl]-8-fluoroquinazoline-4-carboxamide
CID 122444957
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352
2-amino-N-[[6-[(4-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444944
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
CID 153060520
1-(2-amino-8-methoxyquinazolin-4-yl)-3,3-dideuterio-3-[6-[dideuterio-(5-morpholin-4-yl-3-pyridinyl)methyl]-2-pyridinyl]propan-1-one
CID 160894867
2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide
CID 122485233
1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one
CID 159292409
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide (CID 122444933) is 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide is [2H]C([2H])(NC(=O)c1nc(N)nc2c(OC)cccc12)c1cccc(Oc2cncc(OC)c2)n1.
What is the InChIKey of 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
The InChIKey is CBSRYNIJFIEGRP-KBMKNGFXSA-N. The full InChI is InChI=1S/C22H20N6O4/c1-30-14-9-15(12-24-11-14)32-18-8-3-5-13(26-18)10-25-21(29)20-16-6-4-7-17(31-2)19(16)27-22(23)28-20/h3-9,11-12H,10H2,1-2H3,(H,25,29)(H2,23,27,28)/i10D2.
What are the key properties of 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide?
2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[dideuterio-[6-[(5-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide is sourced from PubChem (CID 122444933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).