2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide

C22H20N6O2 — CID 122485358

IUPAC2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(Cc4cccnc4)n3)nc(N)nc12
InChIInChI=1S/C22H20N6O2/c1-30-18-9-3-8-17-19(18)27-22(23)28-20(17)21(29)25-13-16-7-2-6-15(26-16)11-14-5-4-10-24-12-14/h2-10,12H,11,13H2,1H3,(H,25,29)(H2,23,27,28)
InChIKeyPRBWHEZLZLJYIT-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.53
Rot. Bonds6

About 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide

2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (PubChem CID 122485358) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
PubChem CID122485358
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc(Cc4cccnc4)n3)nc(N)nc12
InChIInChI=1S/C22H20N6O2/c1-30-18-9-3-8-17-19(18)27-22(23)28-20(17)21(29)25-13-16-7-2-6-15(26-16)11-14-5-4-10-24-12-14/h2-10,12H,11,13H2,1H3,(H,25,29)(H2,23,27,28)
InChIKeyPRBWHEZLZLJYIT-UHFFFAOYSA-N
XLogP2.53
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide with MolForge

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Related Compounds

N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958720
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
3-(2-(1-(2-(dimethylamino)acetyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)picolinamide
CID 44581247
N-methyl-4-[2-(4-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 57394290
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-8-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122444920
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide (CID 122485358) is 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3cccc(Cc4cccnc4)n3)nc(N)nc12.
What is the InChIKey of 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
The InChIKey is PRBWHEZLZLJYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-30-18-9-3-8-17-19(18)27-22(23)28-20(17)21(29)25-13-16-7-2-6-15(26-16)11-14-5-4-10-24-12-14/h2-10,12H,11,13H2,1H3,(H,25,29)(H2,23,27,28).
What are the key properties of 2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide?
2-amino-8-methoxy-N-[[6-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 2.53, 6 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-(pyridin-3-ylmethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 122485358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).